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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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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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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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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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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UNC 0642,G9a和GLP抑制剂
- ≥99%(HPLC)
CAS号: 1481677-78-4 Compound CID : 53315878

分子式: C₂₉H₄₄F₂N₆O₂ 分子量: 546.7

IUPAC Name: 2-(4,4-difluoropiperidin-1-yl)-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-amine

SMILES: CC(C)N1CCC(CC1)NC2=NC(=NC3=CC(=C(C=C32)OC)OCCCN4CCCC4)N5CCC(CC5)(F)F

InChIKey: RNAMYOYQYRYFQY-UHFFFAOYSA-N

InChI: 1S/C29H44F2N6O2/c1-21(2)36-14-7-22(8-15-36)32-27-23-19-25(38-3)26(39-18-6-13-35-11-4-5-12-35)20-24(23)33-28(34-27)37-16-9-29(30,31)10-17-37/h19-22H,4-18H2,1-3H3,(H,32,33,34)
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Thioperamide,H3拮抗剂
- ≥99%(HPLC)
CAS号: 106243-16-7 Compound CID : 3035905

分子式: C₁₅H₂₄N₄S 分子量: 292.44

IUPAC Name: N-cyclohexyl-4-(1H-imidazol-5-yl)piperidine-1-carbothioamide

SMILES: C1CCC(CC1)NC(=S)N2CCC(CC2)C3=CN=CN3

InChIKey: QKDDJDBFONZGBW-UHFFFAOYSA-N

InChI: 1S/C15H24N4S/c20-15(18-13-4-2-1-3-5-13)19-8-6-12(7-9-19)14-10-16-11-17-14/h10-13H,1-9H2,(H,16,17)(H,18,20)
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碘苯丙酮二氢溴化物
- ≥98%(HPLC)
CAS号: 145196-87-8 Compound CID : 24978528

分子式: C₁₅H₁₉IN₄S•2HBr 分子量: 576.13

IUPAC Name: 3-(1H-imidazol-5-yl)propyl N'-[2-(4-iodophenyl)ethyl]carbamimidothioate;dihydrobromide

SMILES: C1=CC(=CC=C1CCN=C(N)SCCCC2=CN=CN2)I.Br.Br

InChIKey: BOSOGNBLIWPCMS-UHFFFAOYSA-N

InChI: 1S/C15H19IN4S.2BrH/c16-13-5-3-12(4-6-13)7-8-19-15(17)21-9-1-2-14-10-18-11-20-14;;/h3-6,10-11H,1-2,7-9H2,(H2,17,19)(H,18,20);2*1H
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Impentamine dihydrobromide,H3拮抗剂
CAS号: 149629-70-9 Compound CID : 53439849

分子式: C₈H₁₅N₃•2HBr 分子量: 315.05

IUPAC Name: 5-(1H-imidazol-5-yl)pentan-1-amine;dihydrobromide

SMILES: C1=C(NC=N1)CCCCCN.Br.Br

InChIKey: QSDXAAWBBPWGEL-UHFFFAOYSA-N

InChI: 1S/C8H15N3.2BrH/c9-5-3-1-2-4-8-6-10-7-11-8;;/h6-7H,1-5,9H2,(H,10,11);2*1H

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