| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| C346851-10mg |
10mg |
期货  |
|
| 规格或纯度 | Moligand™ |
|---|---|
| 英文名称 | Cromolyn |
| 运输条件 | 常规运输 |
| 作用类型 | 激动剂 |
| 作用机制 | TAS2R20 的激动剂;TAS2R7 的激动剂 |
| pKa值 | pKa: 1.10 |
|---|---|
| Ki Data | GPR35: Ki= 2.34 μM (human) |
| IC50 | the release of histamine in the rat peritoneal fluids by 50%: IC₅₀= 0.74 μM (rat); release of histamine in rat passive peritoneal anaphylaxis: IC₅₀= 0.74 μM (rat); antigen-induced release of histamine (AIR) by 50% from rat peritoneal mast cells (RMC) (in |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| EC号 | 240-279-8 |
|---|---|
| 分子类型 | 小分子 |
| IUPAC Name | 5-[3-(2-carboxy-4-oxochromen-5-yl)oxy-2-hydroxypropoxy]-4-oxochromene-2-carboxylic acid |
| INCHI | InChI=1S/C23H16O11/c24-11(9-31-14-3-1-5-16-20(14)12(25)7-18(33-16)22(27)28)10-32-15-4-2-6-17-21(15)13(26)8-19(34-17)23(29)30/h1-8,11,24H,9-10H2,(H,27,28)(H,29,30) |
| InChi Key | IMZMKUWMOSJXDT-UHFFFAOYSA-N |
| Canonical SMILES | C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O |
| Isomeric SMILES | C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)O)O)C(=O)C=C(O2)C(=O)O |
| PubChem CID | 2882 |
| 分子量 | 468.38 |
| 溶解性 | Soluble in water (0.21 mg/ml). |
|---|---|
| 密度 | ~1.6 g/cm3(Predicted) |
| 折光率 | n20D1.68 (Predicted) |
| 沸点 | ~752.3° C at 760 mmHg (Predicted) |
| 熔点 | 241° C |
| 分子量 | 468.400 g/mol |
| XLogP3 | 1.900 |
| 氢键供体数Hydrogen Bond Donor Count | 3 |
| 氢键受体数Hydrogen Bond Acceptor Count | 11 |
| 可旋转键计数Rotatable Bond Count | 8 |
| 精确质量Exact Mass | 468.069 Da |
| 单同位素质量Monoisotopic Mass | 468.069 Da |
| 拓扑极表面积Topological Polar Surface Area | 166.000 Ų |
| 重原子数Heavy Atom Count | 34 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 835.000 |
| 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 |
| 1. Yang Y, Lu JY, Wu X, Summer S, Whoriskey J, Saris C, Reagan JD. (2010) G-protein-coupled receptor 35 is a target of the asthma drugs cromolyn disodium and nedocromil sodium.. Pharmacology, 86 (1): (1-5). [PMID:20559017] |
| 2. Choi JS, Kim JK, Yang YJ, Kim Y, Kim P, Park SG, Cho EY, Lee DH, Choi JW. (2015) Identification of cromolyn sodium as an anti-fibrotic agent targeting both hepatocytes and hepatic stellate cells.. Pharmacol Res, 102 (176-83). [PMID:26453959] |
| 3. Motawi TM, Bustanji Y, El-Maraghy SA, Taha MO, Al Ghussein MA. (2013) Naproxen and cromolyn as new glycogen synthase kinase 3β inhibitors for amelioration of diabetes and obesity: an investigation by docking simulation and subsequent in vitro/in vivo biochemical evaluation.. J Biochem Mol Toxicol, 27 (9): (425-36). [PMID:23784744] |
| 4. Phua EJ, Lopez X, Ramus J, Goldfine AB. (2013) Cromolyn sodium for insulin-induced lipoatrophy: old drug, new use.. Diabetes Care, 36 (12): (e204-5). [PMID:24265375] |
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