按“信号通路”分类 - 小分子和化合物库

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褪黑素
- ≥98%
CAS号: 73-31-4 EC号: 200-797-7

分子式: C₁₃H₁₆N₂O₂ 分子量: 232.28

IUPAC Name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide

SMILES: CC(=O)NCCC1=CNC2=C1C=C(C=C2)OC

InChIKey: DRLFMBDRBRZALE-UHFFFAOYSA-N

InChI: 1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
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替洛利生
- ≥98%
CAS号: 362665-56-3

分子式: C₁₇H₂₆ClNO 分子量: 295.85

IUPAC Name: 1-[3-[3-(4-chlorophenyl)propoxy]propyl]piperidine

SMILES: C1CCN(CC1)CCCOCCCC2=CC=C(C=C2)Cl

InChIKey: NNACHAUCXXVJSP-UHFFFAOYSA-N

InChI: 1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2
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利奥西呱
- ≥99%
CAS号: 625115-55-1 Compound CID : 11304743

分子式: C₂₀H₁₉FN₈O₂ 分子量: 422.42

IUPAC Name: methyl N-[4,6-diamino-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-5-yl]-N-methylcarbamate

SMILES: CN(C1=C(N=C(N=C1N)C2=NN(C3=C2C=CC=N3)CC4=CC=CC=C4F)N)C(=O)OC

InChIKey: WXXSNCNJFUAIDG-UHFFFAOYSA-N

InChI: 1S/C20H19FN8O2/c1-28(20(30)31-2)15-16(22)25-18(26-17(15)23)14-12-7-5-9-24-19(12)29(27-14)10-11-6-3-4-8-13(11)21/h3-9H,10H2,1-2H3,(H4,22,23,25,26)
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Bavisant,人H3受体拮抗剂
- ≥98%
CAS号: 929622-08-2

分子式: C₁₉H₂₇N₃O₂ 分子量: 329.44

IUPAC Name: (4-cyclopropylpiperazin-1-yl)-[4-(morpholin-4-ylmethyl)phenyl]methanone

SMILES: C1CC1N2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCOCC4

InChIKey: BGBVSGSIXIIREO-UHFFFAOYSA-N

InChI: 1S/C19H27N3O2/c23-19(22-9-7-21(8-10-22)18-5-6-18)17-3-1-16(2-4-17)15-20-11-13-24-14-12-20/h1-4,18H,5-15H2
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Cinaciguat,鸟苷酸环化酶 (GC) 活化剂
- ≥98%
CAS号: 329773-35-5

分子式: C₃₆H₃₉NO₅ 分子量: 565.70

IUPAC Name: 4-[[4-carboxybutyl-[2-[2-[[4-(2-phenylethyl)phenyl]methoxy]phenyl]ethyl]amino]methyl]benzoic acid

SMILES: C1=CC=C(C=C1)CCC2=CC=C(C=C2)COC3=CC=CC=C3CCN(CCCCC(=O)O)CC4=CC=C(C=C4)C(=O)O

InChIKey: WPYWMXNXEZFMAK-UHFFFAOYSA-N

InChI: 1S/C36H39NO5/c38-35(39)12-6-7-24-37(26-30-19-21-33(22-20-30)36(40)41)25-23-32-10-4-5-11-34(32)42-27-31-17-15-29(16-18-31)14-13-28-8-2-1-3-9-28/h1-5,8-11,15-22H,6-7,12-14,23-27H2,(H,38,39)(H,40,41)
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氯氮平
- ≥98%
CAS号: 5786-21-0

分子式: C₁₈H₁₉ClN₄ 分子量: 326.82

IUPAC Name: 3-chloro-6-(4-methylpiperazin-1-yl)-11H-benzo[b][1,4]benzodiazepine

SMILES: CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N

InChI: 1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3
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组胺
- ≥96%
CAS号: 51-45-6 EC号: 200-100-6

分子式: C₅H₉N₃ 分子量: 111.15

IUPAC Name: 2-(1H-imidazol-5-yl)ethanamine

SMILES: C1=C(NC=N1)CCN

InChIKey: NTYJJOPFIAHURM-UHFFFAOYSA-N

InChI: 1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
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1H-[1,2,4]恶二唑并[4,3-a]喹喔啉-1-酮
- ≥98%
CAS号: 41443-28-1

分子式: C₉H₅N₃O₂ 分子量: 187.16

IUPAC Name: [1,2,4]oxadiazolo[4,3-a]quinoxalin-1-one

SMILES: C1=CC=C2C(=C1)N=CC3=NOC(=O)N23

InChIKey: LZMHWZHOZLVYDL-UHFFFAOYSA-N

InChI: 1S/C9H5N3O2/c13-9-12-7-4-2-1-3-6(7)10-5-8(12)11-14-9/h1-5H
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GSK-239512,H3受体拮抗剂
- ≥98%
CAS号: 720691-69-0

分子式: C₂₃H₂₇N₃O₂ 分子量: 377.48

IUPAC Name: 1-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridin-3-yl]pyrrolidin-2-one

SMILES: C1CC(C1)N2CCC3=C(CC2)C=C(C=C3)OC4=NC=C(C=C4)N5CCCC5=O

InChIKey: YFRBKEVUUCQYOW-UHFFFAOYSA-N

InChI: 1S/C23H27N3O2/c27-23-5-2-12-26(23)20-7-9-22(24-16-20)28-21-8-6-17-10-13-25(19-3-1-4-19)14-11-18(17)15-21/h6-9,15-16,19H,1-5,10-14H2
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JNJ39758979,组胺H4受体拮抗剂
- ≥97%
CAS号: 1046447-90-8

分子式: C₁₁H₁₉N₅ 分子量: 221.30

IUPAC Name: 4-[(3R)-3-aminopyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine

SMILES: CC(C)C1=CC(=NC(=N1)N)N2CCC(C2)N

InChIKey: COOGVHJHSCBOQT-MRVPVSSYSA-N

InChI: 1S/C11H19N5/c1-7(2)9-5-10(15-11(13)14-9)16-4-3-8(12)6-16/h5,7-8H,3-4,6,12H2,1-2H3,(H2,13,14,15)/t8-/m1/s1
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BAY 41-2272,可溶性鸟苷基环化酶（sGC）激活剂
- ≥99%
CAS号: 256376-24-6

分子式: C₂₀H₁₇FN₆ 分子量: 360.4

IUPAC Name: 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine

SMILES: C1CC1C2=CN=C(N=C2N)C3=NN(C4=C3C=CC=N4)CC5=CC=CC=C5F

InChIKey: ATOAHNRJAXSBOR-UHFFFAOYSA-N

InChI: 1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25)
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Imetit 二氢溴酸盐
- ≥95%
CAS号: 32385-58-3

分子式: C₆H₁₀N₄S.₂HBr 分子量: 332.06

IUPAC Name: 2-(1H-imidazol-5-yl)ethyl carbamimidothioate;dihydrobromide

SMILES: C1=C(NC=N1)CCSC(=N)N.Br.Br

InChIKey: DOBOYMKCRRLTRF-UHFFFAOYSA-N

InChI: 1S/C6H10N4S.2BrH/c7-6(8)11-2-1-5-3-9-4-10-5;;/h3-4H,1-2H2,(H3,7,8)(H,9,10);2*1H
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