4-苯基丁酸

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货号 (SKU) 包装规格 是否现货 价格 数量
P132032-5g
5g 现货 Stock Image
P132032-10g
10g 期货 Stock Image
P132032-25g
25g 现货 Stock Image
P132032-100g
100g 现货 Stock Image
P132032-500g
500g 现货 Stock Image

基本描述

别名 苯丁酸 | ψ-苯基丁酸 | 4-苯基丁酸 | 4-苯基正丁酸 | 苯丁酸
英文别名 4-Phenyl-n-butyrate | CCG-39733 | FT-0673736 | NCGC00018113-04 | NSC295 | NSC-295 | s3592 | gamma-Phenylbutanoic acid | SpecPlus_000814 | CHEBI:41500 | OBKXEAXTFZPCHS-UHFFFAOYSA- | 2-methyl-1-phenyl-propan-2-amine | g-Phenylbutyrate | g-phenyl-Butyrate |
规格或纯度 Moligand™, ≥99%
英文名称 4-Phenylbutyric Acid
运输条件 常规运输
产品介绍

4-Phenylbutyric acid (Benzenebutyric acid) 是一种组蛋白去乙酰化酶 (HDAC) 抑制剂,也是一种内质网应激 (ERS) 抑制剂。4-Phenylbutyric acid 可以用于治疗尿素循环障碍。

4-Phenylbutyric acid (Benzenebutyric acid) is a histone deacetylase (HDAC) inhibitor and an endoplasmic reticulum stress (ERS) inhibitor. 4-Phenylbutyric acid can be used to treat urea cycle disorders.

关联靶点(人)

ESR1 Tclin Estrogen receptor alpha (17718 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PGR Tclin Progesterone receptor (8562 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRB2 Tclin Beta-2 adrenergic receptor (11824 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRB1 Tclin Beta-1 adrenergic receptor (6630 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR1A Tclin Serotonin 1a (5-HT1a) receptor (14969 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA2A Tclin Alpha-2a adrenergic receptor (9450 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AR Tclin Androgen Receptor (11781 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHRM1 Tclin Muscarinic acetylcholine receptor M1 (12690 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD2 Tclin Dopamine D2 receptor (23596 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GABRA1 Tclin GABA receptor alpha-1 subunit (399 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
MAOA Tclin Monoamine oxidase A (11911 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CNR1 Tclin Cannabinoid CB1 receptor (20913 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD1 Tclin Dopamine D1 receptor (9720 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD4 Tchem Dopamine D4 receptor (7907 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTGS1 Tclin Cyclooxygenase-1 (9233 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC6A2 Tclin Norepinephrine transporter (10102 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HRH2 Tclin Histamine H2 receptor (5428 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR2A Tclin Serotonin 2a (5-HT2a) receptor (14758 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR2C Tclin Serotonin 2c (5-HT2c) receptor (11471 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AVPR2 Tclin Vasopressin V2 receptor (2912 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADORA1 Tclin Adenosine A1 receptor (17603 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AGTR1 Tclin Type-1 angiotensin II receptor (5176 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC6A4 Tclin Serotonin transporter (12625 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CRHR1 Tclin Corticotropin releasing factor receptor 1 (2996 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA1A Tclin Alpha-1a adrenergic receptor (8359 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PTGS2 Tclin Cyclooxygenase-2 (13999 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HRH1 Tclin Histamine H1 receptor (7573 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OPRM1 Tclin Mu opioid receptor (19785 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
DRD3 Tclin Dopamine D3 receptor (14368 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
AVPR1A Tclin Vasopressin V1a receptor (5412 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OPRD1 Tclin Delta opioid receptor (15096 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
OPRK1 Tclin Kappa opioid receptor (16155 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR3A Tclin Serotonin 3a (5-HT3a) receptor (3366 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GCGR Tclin Glucagon receptor (2563 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC6A3 Tclin Dopamine transporter (10535 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
GRIN1 Tclin Glutamate (NMDA) receptor subunit zeta 1 (122 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
KCNH2 Tclin HERG (29587 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CACNA1C Tclin Voltage-gated L-type calcium channel alpha-1C subunit (766 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
PDE3A Tclin Phosphodiesterase 3A (3309 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ESR2 Tclin Estrogen receptor beta (9272 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SLC29A1 Tclin Equilibrative nucleoside transporter 1 (1711 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHRM4 Tclin Muscarinic acetylcholine receptor M4 (6041 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA2B Tclin Alpha-2b adrenergic receptor (4412 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRA2C Tclin Alpha-2c adrenergic receptor (4876 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
CHRM3 Tclin Muscarinic acetylcholine receptor M3 (7750 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
ADRB3 Tclin Beta-3 adrenergic receptor (5850 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HTR2B Tclin Serotonin 2b (5-HT2b) receptor (10323 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

关联靶点(其它种属)

Htr7 Serotonin 7 (5-HT7) receptor (19 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mc4r Melanocortin receptor 4 (1205 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Npy1r Neuropeptide Y receptor type 1 (8 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cckar Cholecystokinin A receptor (90 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Ntsr1 Neurotensin receptor 1 (48 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Pde4d Phosphodiesterase 4D (4 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Bdkrb1 Bradykinin B1 receptor (77 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Mapk1 MAP kinase ERK2 (650 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hdac1 Histone deacetylase 1 (93 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hdac5 Histone deacetylase 5 (5 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
HD1 Histone deacetylase (38 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Pseudomonas aeruginosa (123386 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Klebsiella pneumoniae (43867 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Staphylococcus aureus (210822 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Acinetobacter baumannii (41033 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Plasmodium falciparum (966862 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Cryptococcus neoformans (21258 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
Candida albicans (78123 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
C6 (2371 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SIGMAR1 Sigma-1 receptor (3326 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID
SARS-CoV-2 (38078 活性数据)
活性类型 Relation Activity value Units Action Type 期刊 PubMed Id doi Assay Aladdin ID

作用机制

作用机制 Action Type target ID Target Name Target Type Target Organism Binding Site Name 参考文献

名称和识别符

PubChem SID 504750811
EC号 217-341-8
分子类型 小分子
IUPAC Name 4-phenylbutanoic acid
INCHI InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
InChi Key OBKXEAXTFZPCHS-UHFFFAOYSA-N
Canonical SMILES C1=CC=C(C=C1)CCCC(=O)O
Isomeric SMILES C1=CC=C(C=C1)CCCC(=O)O
WGK Germany 3
关联CAS 1821-12-1,1716-12-7 (hydrochloride)
PubChem CID 4775
NSC Number 295
MeSH Entry Terms 4-phenylbutyrate;4-phenylbutyric acid;4-phenylbutyric acid, calcium salt;4-phenylbutyric acid, sodium salt;Ammonaps;Buphenyl;sodium 4-phenylbutanoate;sodium 4-phenylbutyrate;sodium phenylbutyrate
分子量 164.2
Beilstein号 9539
Reaxy-Rn 638180

化学和物理性质

闪点(℉) 230℉
闪点(℃) >110℃
沸点 165℃
熔点 49-53℃
分子量 164.200 g/mol
XLogP3 2.400
氢键供体数Hydrogen Bond Donor Count 1
氢键受体数Hydrogen Bond Acceptor Count 2
可旋转键计数Rotatable Bond Count 4
精确质量Exact Mass 164.084 Da
单同位素质量Monoisotopic Mass 164.084 Da
拓扑极表面积Topological Polar Surface Area 37.300 Ų
重原子数Heavy Atom Count 12
形式电荷Formal Charge 0
复杂度Complexity 137.000
同位素原子数Isotope Atom Count 0
定义的原子立体中心计数Defined Atom Stereocenter Count 0
未定义的原子立体中心计数Undefined Atom Stereocenter Count 0
定义的键立体中心计数Defined Bond Stereocenter Count 0
未定义的键立体中心计数Undefined Bond Stereocenter Count 0
所有立体化学键的总数The total count of all stereochemical bonds 0
共价键合单元计数Covalently-Bonded Unit Count 1

安全和危险性(GHS)

象形图 GHS07
信号词 Warning
危险声明

H315: 引起皮肤刺激

H319: 引起严重眼睛刺激

H335: 可能引起呼吸道刺激

预防措施声明

P261: 避免吸入灰尘/烟雾/气体/雾/蒸汽/喷雾

P305+P351+P338: 如进入眼睛:用水小心冲洗几分钟。如戴隐形眼镜并可方便地取出,取出隐形眼镜。继续冲洗。

P280: 戴防护手套/穿防护服/戴防护眼罩/戴防护面具。

P302+P352: 如皮肤沾染:用水充分清洗。

P321: 特殊处理(请参阅此标签上的...)。

P405: 密闭存放

P501: 将内容物/容器处理到。。。

P264: 处理后要彻底洗手。

P271: 仅在室外或通风良好的地方使用。

P304+P340: 如误吸入:将人转移到空气新鲜处,保持呼吸舒适体位。

P403+P233: 存放在通风良好的地方。保持容器密闭。

P362+P364: 脱掉沾污的衣服,清洗后方可重新使用。

P264+P265: 处理后彻底洗手[和…]。不要触摸眼睛。

P337+P317: 如果眼睛刺激持续:寻求医疗帮助。

P332+P317: 如果出现皮肤刺激:请寻求医疗帮助。

P319: 如果你感到不适,请寻求医疗帮助。

WGK Germany 3
Reaxy-Rn 638180
个人防护装备 Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

质量标准

Melting point 49-53(℃)
Purity(Neutralization titration) 98.5-101.5(%)
Purity(GC) 99-100(%)
Appearance(P132032) White to Off-White Solid, Powder, or Crystals
Infrared spectrum Conforms to Structure
Solubility in MeOH almost transparency

质检证书(CoA,COO,BSE/TSE 和分析图谱)

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批号(Lot Number) 证书类型 日期 货号
A2507149 分析证书 24-12-09 P132032
L2420761 分析证书 24-12-09 P132032
L2420762 分析证书 24-12-09 P132032
L2420763 分析证书 24-12-09 P132032
L2420764 分析证书 24-12-09 P132032
G2417419 分析证书 24-06-11 P132032
K2113109 分析证书 23-08-17 P132032
K2113112 分析证书 23-08-17 P132032
K2113113 分析证书 23-08-17 P132032
K2113118 分析证书 23-08-17 P132032
I2202784 分析证书 22-07-25 P132032
I2202813 分析证书 22-07-25 P132032
I2202814 分析证书 22-07-25 P132032
I2202815 分析证书 22-07-25 P132032
E2411070 分析证书 22-07-25 P132032
F1828076 分析证书 22-02-15 P132032

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此产品的引用文献

1. Shuanghui Wang, Chuhong Chen, Yan Lu.  (2023)  Epigallocatechin-3-Gallate Reduces Cd-Induced Developmental Toxicity of Bodysize in Caenorhabditis elegans via the PEK-1/eIF-2α/ATF-4 Pathway.  MOLECULES,  28  (17): (6344).  [PMID:37687170] [10.3390/molecules28176344]
2. Chuhong Chen, Ying Deng, Linyan Liu, Zhenyan Zou, Chenzhong Jin, Zhiyin Chen, Shuanghui Wang.  (2023)  High-Dose Deltamethrin Induces Developmental Toxicity in Caenorhabditis elegans via IRE-1.  MOLECULES,  28  (17): (6303).  [PMID:37687132] [10.3390/molecules28176303]
3. Fan Chen, Na Wang, Xinyan Tian, Juan Su, Yan Qin, Rongqiao He, Xiaping He.  (2023)  The Protective Effect of Mangiferin on Formaldehyde-Induced HT22 Cell Damage and Cognitive Impairment.  Pharmaceutics,  15  (6): (1568).  [PMID:37376018] [10.3390/pharmaceutics15061568]
4. Lin Zhao, Bingling Zhong, Yanyan Zhu, Haoyi Zheng, Xumei Wang, Ying Hou, Jin-Jian Lu, Nana Ai, Xiuli Guo, Wei Ge, Yan-Yan Ma, Xiuping Chen.  (2023)  Nitrovin (difurazone), an antibacterial growth promoter, induces ROS-mediated paraptosis-like cell death by targeting thioredoxin reductase 1 (TrxR1).  BIOCHEMICAL PHARMACOLOGY,  210  (115487).  [PMID:36893814] [10.1016/j.bcp.2023.115487]
5. Xiaohui Tan, Dunpeng Cai, Na Chen, Sihao Du, Dongfang Qiao, Xia Yue, Tao Wang, Jia Li, Weibing Xie, Huijun Wang.  (2021)  Methamphetamine mediates apoptosis of vascular smooth muscle cells via the chop-related endoplasmic reticulum stress pathway.  TOXICOLOGY LETTERS,  350  (98).  [PMID:34214594] [10.1016/j.toxlet.2021.06.019]

参考文献

1. Gardian G, Browne SE, Choi DK, Klivenyi P, Gregorio J, Kubilus JK, Ryu H, Langley B, Ratan RR, Ferrante RJ et al..  (2005)  Neuroprotective effects of phenylbutyrate in the N171-82Q transgenic mouse model of Huntington's disease..  J Biol Chem,  280  (1): (556-63).  [PMID:15494404]
2. Ryu H, Smith K, Camelo SI, Carreras I, Lee J, Iglesias AH, Dangond F, Cormier KA, Cudkowicz ME, Brown Jr RH et al..  (2005)  Sodium phenylbutyrate prolongs survival and regulates expression of anti-apoptotic genes in transgenic amyotrophic lateral sclerosis mice..  J Neurochem,  93  (5): (1087-98).  [PMID:15934930]
3. Iannitti T, Palmieri B.  (2011)  Clinical and experimental applications of sodium phenylbutyrate..  Drugs R D,  11  (3): (227-49).  [PMID:21902286]
4. Shuanghui Wang, Chuhong Chen, Yan Lu.  (2023)  Epigallocatechin-3-Gallate Reduces Cd-Induced Developmental Toxicity of Bodysize in Caenorhabditis elegans via the PEK-1/eIF-2α/ATF-4 Pathway.  MOLECULES,  28  (17): (6344).  [PMID:37687170] [10.3390/molecules28176344]
5. Chuhong Chen, Ying Deng, Linyan Liu, Zhenyan Zou, Chenzhong Jin, Zhiyin Chen, Shuanghui Wang.  (2023)  High-Dose Deltamethrin Induces Developmental Toxicity in Caenorhabditis elegans via IRE-1.  MOLECULES,  28  (17): (6303).  [PMID:37687132] [10.3390/molecules28176303]
6. Fan Chen, Na Wang, Xinyan Tian, Juan Su, Yan Qin, Rongqiao He, Xiaping He.  (2023)  The Protective Effect of Mangiferin on Formaldehyde-Induced HT22 Cell Damage and Cognitive Impairment.  Pharmaceutics,  15  (6): (1568).  [PMID:37376018] [10.3390/pharmaceutics15061568]
7. Lin Zhao, Bingling Zhong, Yanyan Zhu, Haoyi Zheng, Xumei Wang, Ying Hou, Jin-Jian Lu, Nana Ai, Xiuli Guo, Wei Ge, Yan-Yan Ma, Xiuping Chen.  (2023)  Nitrovin (difurazone), an antibacterial growth promoter, induces ROS-mediated paraptosis-like cell death by targeting thioredoxin reductase 1 (TrxR1).  BIOCHEMICAL PHARMACOLOGY,  210  (115487).  [PMID:36893814] [10.1016/j.bcp.2023.115487]
8. Xiaohui Tan, Dunpeng Cai, Na Chen, Sihao Du, Dongfang Qiao, Xia Yue, Tao Wang, Jia Li, Weibing Xie, Huijun Wang.  (2021)  Methamphetamine mediates apoptosis of vascular smooth muscle cells via the chop-related endoplasmic reticulum stress pathway.  TOXICOLOGY LETTERS,  350  (98).  [PMID:34214594] [10.1016/j.toxlet.2021.06.019]

溶液计算器