按“信号通路”分类 - 小分子和化合物库

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MK-4827( 尼拉帕尼)
- ≥98%
CAS号: 1038915-60-4

分子式: C₁₉H₂₀N₄O 分子量: 320.39

IUPAC Name: 2-[4-[(3S)-piperidin-3-yl]phenyl]indazole-7-carboxamide

SMILES: C1CC(CNC1)C2=CC=C(C=C2)N3C=C4C=CC=C(C4=N3)C(=O)N

InChIKey: PCHKPVIQAHNQLW-CQSZACIVSA-N

InChI: 1S/C19H20N4O/c20-19(24)17-5-1-3-15-12-23(22-18(15)17)16-8-6-13(7-9-16)14-4-2-10-21-11-14/h1,3,5-9,12,14,21H,2,4,10-11H2,(H2,20,24)/t14-/m1/s1
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奥替那班
- ≥98%
CAS号: 686344-29-6

分子式: C₂₅H₂₅Cl₂N₇O 分子量: 510.42

IUPAC Name: 1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide

SMILES: CCNC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)C(=O)N

InChIKey: UNAZAADNBYXMIV-UHFFFAOYSA-N

InChI: 1S/C25H25Cl2N7O/c1-2-31-25(24(28)35)11-13-33(14-12-25)22-20-23(30-15-29-22)34(17-9-7-16(26)8-10-17)21(32-20)18-5-3-4-6-19(18)27/h3-10,15,31H,2,11-14H2,1H3,(H2,28,35)
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奥拉帕尼 (AZD2281, Ku-0059436)
- ≥98%
CAS号: 763113-22-0 EC号: 642-941-5

分子式: C₂₄H₂₃FN₄O₃ 分子量: 434.46

IUPAC Name: 4-[[3-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]-2H-phthalazin-1-one

SMILES: C1CC1C(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)CC4=NNC(=O)C5=CC=CC=C54)F

InChIKey: FDLYAMZZIXQODN-UHFFFAOYSA-N

InChI: 1S/C24H23FN4O3/c25-20-8-5-15(14-21-17-3-1-2-4-18(17)22(30)27-26-21)13-19(20)24(32)29-11-9-28(10-12-29)23(31)16-6-7-16/h1-5,8,13,16H,6-7,9-12,14H2,(H,27,30)
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Org 27569,CB 1受体变构调节剂
- ≥98%
CAS号: 868273-06-7 EC号: 278-169-7

分子式: C₂₄H₂₈ClN₃O 分子量: 409.95

IUPAC Name: 5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide

SMILES: CCC1=C(NC2=C1C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)N4CCCCC4

InChIKey: AHFZDNYNXFMRFQ-UHFFFAOYSA-N

InChI: 1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)
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PJ34,PARPl/2 抑制剂
- ≥98%
CAS号: 344458-19-1

分子式: C₁₇H₁₇N₃O₂ 分子量: 295.34

IUPAC Name: 2-(dimethylamino)-N-(6-oxo-5H-phenanthridin-2-yl)acetamide

SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)NC(=O)C3=CC=CC=C32

InChIKey: UYJZZVDLGDDTCL-UHFFFAOYSA-N

InChI: 1S/C17H17N3O2/c1-20(2)10-16(21)18-11-7-8-15-14(9-11)12-5-3-4-6-13(12)17(22)19-15/h3-9H,10H2,1-2H3,(H,18,21)(H,19,22)
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利莫那班
- ≥98%
CAS号: 168273-06-1 Compound CID : 104850

分子式: C₂₂H₂₁Cl₃N₄O 分子量: 463.79

IUPAC Name: 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide

SMILES: CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

InChIKey: JZCPYUJPEARBJL-UHFFFAOYSA-N

InChI: 1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
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Taranabant,激动剂
- ≥98%
CAS号: 701977-09-5 Compound CID : 11226090

分子式: C₂₇H₂₅ClF₃N₃O₂ 分子量: 515.97

IUPAC Name: N-[(2S,3S)-4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-methyl-2-[5-(trifluoromethyl)pyridin-2-yl]oxypropanamide

SMILES: CC(C(CC1=CC=C(C=C1)Cl)C2=CC=CC(=C2)C#N)NC(=O)C(C)(C)OC3=NC=C(C=C3)C(F)(F)F

InChIKey: QLYKJCMUNUWAGO-GAJHUEQPSA-N

InChI: 1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1
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UPF 1069,PARP2抑制剂
- ≥98%
CAS号: 1048371-03-4 Compound CID : 25015515

分子式: C₁₇H₁₃NO₃ 分子量: 279.29

IUPAC Name: 5-phenacyloxy-2H-isoquinolin-1-one

SMILES: C1=CC=C(C=C1)C(=O)COC2=CC=CC3=C2C=CNC3=O

InChIKey: JJWMRRNGWSITSQ-UHFFFAOYSA-N

InChI: 1S/C17H13NO3/c19-15(12-5-2-1-3-6-12)11-21-16-8-4-7-14-13(16)9-10-18-17(14)20/h1-10H,11H2,(H,18,20)
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Veliparib,PARP抑制剂
- ≥99%
CAS号: 912444-00-9 Compound CID : 11960529

分子式: C₁₃H₁₆N₄O 分子量: 244.3

IUPAC Name: 2-[(2R)-2-methylpyrrolidin-2-yl]-1H-benzimidazole-4-carboxamide

SMILES: CC1(CCCN1)C2=NC3=C(C=CC=C3N2)C(=O)N

InChIKey: JNAHVYVRKWKWKQ-CYBMUJFWSA-N

InChI: 1S/C13H16N4O/c1-13(6-3-7-15-13)12-16-9-5-2-4-8(11(14)18)10(9)17-12/h2,4-5,15H,3,6-7H2,1H3,(H2,14,18)(H,16,17)/t13-/m1/s1
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3,5,7,8-四氢-2-[4-(三氟甲基)苯基]-4H-硫代吡喃并[4,3-d]嘧啶-4-酮
- ≥98%
CAS号: 284028-89-3 Compound CID : 135418940

分子式: C₁₄H₁₁F₃N₂OS 分子量: 312.31

IUPAC Name: 2-[4-(trifluoromethyl)phenyl]-3,5,7,8-tetrahydrothiopyrano[4,3-d]pyrimidin-4-one

SMILES: C1CSCC2=C1N=C(NC2=O)C3=CC=C(C=C3)C(F)(F)F

InChIKey: KLGQSVMIPOVQAX-UHFFFAOYSA-N

InChI: 1S/C14H11F3N2OS/c15-14(16,17)9-3-1-8(2-4-9)12-18-11-5-6-21-7-10(11)13(20)19-12/h1-4H,5-7H2,(H,18,19,20)
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BMN 673
- ≥98%
CAS号: 1207456-01-6 EC号: 806-564-1, 815-271-8

分子式: C₁₉H₁₄F₂N₆O 分子量: 380.35

IUPAC Name: (11S,12R)-7-fluoro-11-(4-fluorophenyl)-12-(2-methyl-1,2,4-triazol-3-yl)-2,3,10-triazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8-tetraen-4-one

SMILES: CN1C(=NC=N1)C2C(NC3=CC(=CC4=C3C2=NNC4=O)F)C5=CC=C(C=C5)F

InChIKey: HWGQMRYQVZSGDQ-HZPDHXFCSA-N

InChI: 1S/C19H14F2N6O/c1-27-18(22-8-23-27)15-16(9-2-4-10(20)5-3-9)24-13-7-11(21)6-12-14(13)17(15)25-26-19(12)28/h2-8,15-16,24H,1H3,(H,26,28)/t15-,16-/m1/s1
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和厚朴酚
CAS号: 35354-74-6

分子式: C₁₈H₁₈O₂ 分子量: 266.33

IUPAC Name: 2-(4-hydroxy-3-prop-2-enylphenyl)-4-prop-2-enylphenol

SMILES: C=CCC1=CC(=C(C=C1)O)C2=CC(=C(C=C2)O)CC=C

InChIKey: FVYXIJYOAGAUQK-UHFFFAOYSA-N

InChI: 1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2
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