代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

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维生素K3
CAS号 : 58-27-5 Compound CID : 4055

分子式: C₁₁H₈O₂ 分子量: 172.18

IUPAC Name: 2-methylnaphthalene-1,4-dione

SMILES: CC1=CC(=O)C2=CC=CC=C2C1=O

InChIKey: MJVAVZPDRWSRRC-UHFFFAOYSA-N

InChI: InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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甲萘醌
- ≥98%
CAS号 : 58-27-5 Compound CID : 4055

分子式: C₁₁H₈O₂ 分子量: 172.18

IUPAC Name: 2-methylnaphthalene-1,4-dione

SMILES: CC1=CC(=O)C2=CC=CC=C2C1=O

InChIKey: MJVAVZPDRWSRRC-UHFFFAOYSA-N

InChI: InChI=1S/C11H8O2/c1-7-6-10(12)8-4-2-3-5-9(8)11(7)13/h2-6H,1H3
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1-甲基-L-色氨酸
- ≥95%
CAS号 : 21339-55-9

分子式: C₁₂H₁₄N₂O₂ 分子量: 218.25

IUPAC Name: (2S)-2-amino-3-(1-methylindol-3-yl)propanoic acid

SMILES: CN1C=C(C2=CC=CC=C21)CC(C(=O)O)N

InChIKey: ZADWXFSZEAPBJS-JTQLQIEISA-N

InChI: InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
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Necrostatin-1,特异性坏死病抑制剂
- ≥99%
CAS号 : 4311-88-0 Compound CID : 2828334

分子式: C₁₃H₁₃N₃OS 分子量: 259.33

IUPAC Name: 5-(1H-indol-3-ylmethyl)-3-methyl-2-sulfanylideneimidazolidin-4-one

SMILES: CN1C(=O)C(NC1=S)CC2=CNC3=CC=CC=C32

InChIKey: TXUWMXQFNYDOEZ-UHFFFAOYSA-N

InChI: InChI=1S/C13H13N3OS/c1-16-12(17)11(15-13(16)18)6-8-7-14-10-5-3-2-4-9(8)10/h2-5,7,11,14H,6H2,1H3,(H,15,18)
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919,小分子IDO途径抑制剂
- ≥98%
CAS号 : 1402836-58-1 Compound CID : 66558287

分子式: C₁₈H₂₂N₂O 分子量: 282.38

IUPAC Name: 1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol

SMILES: C1CCC(CC1)C(CC2C3=CC=CC=C3C4=CN=CN24)O

InChIKey: YTRRAUACYORZLX-UHFFFAOYSA-N

InChI: InChI=1S/C18H22N2O/c21-18(13-6-2-1-3-7-13)10-16-14-8-4-5-9-15(14)17-11-19-12-20(16)17/h4-5,8-9,11-13,16,18,21H,1-3,6-7,10H2
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9H-吡啶[3,4-b]吲哚
- ≥98%
CAS号 : 244-63-3 Compound CID : 64961

分子式: C₁₁H₈N₂ 分子量: 168.2

IUPAC Name: 9H-pyrido[3,4-b]indole

SMILES: C1=CC=C2C(=C1)C3=C(N2)C=NC=C3

InChIKey: AIFRHYZBTHREPW-UHFFFAOYSA-N

InChI: InChI=1S/C11H8N2/c1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10/h1-7,13H
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依布硒
- ≥98%
CAS号 : 60940-34-3 Compound CID : 3194

分子式: C₁₃H₉NOSe 分子量: 274.18

IUPAC Name: 2-phenyl-1,2-benzoselenazol-3-one

SMILES: C1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3[Se]2

InChIKey: DYEFUKCXAQOFHX-UHFFFAOYSA-N

InChI: InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
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INCB024360 类似物
- ≥98%
CAS号 : 914471-09-3 Compound CID : 135424953

分子式: C₉H₇ClFN₅O₂ 分子量: 271.64

IUPAC Name: 4-amino-N'-(3-chloro-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

SMILES: C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Cl)F

InChIKey: HGXSLPIXNPASGZ-UHFFFAOYSA-N

InChI: InChI=1S/C9H7ClFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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PF-06840003,IDO-1 抑制剂
- ≥98%
CAS号 : 198474-05-4 Compound CID : 23063810

分子式: C₁₂H₉FN₂O₂ 分子量: 232.21

IUPAC Name: 3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione

SMILES: C1C(C(=O)NC1=O)C2=CNC3=C2C=C(C=C3)F

InChIKey: MXKLDYKORJEOPR-UHFFFAOYSA-N

InChI: InChI=1S/C12H9FN2O2/c13-6-1-2-10-7(3-6)9(5-14-10)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)
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IDO-IN-1
- ≥97%
CAS号 : 914638-30-5 Compound CID : 135741412

分子式: C₉H₇BrFN₅O₂ 分子量: 316.087

IUPAC Name: 4-amino-N'-(3-bromo-4-fluorophenyl)-N-hydroxy-1,2,5-oxadiazole-3-carboximidamide

SMILES: C1=CC(=C(C=C1N=C(C2=NON=C2N)NO)Br)F

InChIKey: ORHZJUSHZUCMKR-UHFFFAOYSA-N

InChI: InChI=1S/C9H7BrFN5O2/c10-5-3-4(1-2-6(5)11)13-9(14-17)7-8(12)16-18-15-7/h1-3,17H,(H2,12,16)(H,13,14)
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Epacadostat (INCB024360)
- ≥98%
CAS号 : 1204669-58-8 Compound CID : 135564890

分子式: C₁₁H₁₃BrFN₇O₄S 分子量: 438.23

IUPAC Name: N'-(3-bromo-4-fluorophenyl)-N-hydroxy-4-[2-(sulfamoylamino)ethylamino]-1,2,5-oxadiazole-3-carboximidamide

SMILES: C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F

InChIKey: FBKMWOJEPMPVTQ-UHFFFAOYSA-N

InChI: InChI=1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
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IDO抑制剂1
- ≥99%
CAS号 : 1668565-74-9 Compound CID : 90718185

分子式: C₂₉H₃₅N₇O 分子量: 497.63

IUPAC Name: 1-[2-[bis(2-methylpropyl)amino]-5-[2-(2H-tetrazol-5-yl)phenyl]phenyl]-3-(4-methylphenyl)urea

SMILES: CC1=CC=C(C=C1)NC(=O)NC2=C(C=CC(=C2)C3=CC=CC=C3C4=NNN=N4)N(CC(C)C)CC(C)C

InChIKey: CJNMMPAEIYFQIJ-UHFFFAOYSA-N

InChI: InChI=1S/C29H35N7O/c1-19(2)17-36(18-20(3)4)27-15-12-22(24-8-6-7-9-25(24)28-32-34-35-33-28)16-26(27)31-29(37)30-23-13-10-21(5)11-14-23/h6-16,19-20H,17-18H2,1-5H3,(H2,30,31,37)(H,32,33,34,35)
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