按“信号通路”分类 - 小分子和化合物库

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5-(4-苯氧基丁氧基)补骨脂素（PAP-1）
- ≥98%
CAS号: 870653-45-5 EC号: 635-565-8

分子式: C₂₁H₁₈O₅ 分子量: 350.36

IUPAC Name: 4-(4-phenoxybutoxy)furo[3,2-g]chromen-7-one

SMILES: C1=CC=C(C=C1)OCCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4

InChIKey: KINMYBBFQRSVLL-UHFFFAOYSA-N

InChI: 1S/C21H18O5/c22-20-9-8-16-19(26-20)14-18-17(10-13-24-18)21(16)25-12-5-4-11-23-15-6-2-1-3-7-15/h1-3,6-10,13-14H,4-5,11-12H2
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TW-37,小分子BCL-2抑制剂
- ≥98%
CAS号: 877877-35-5 Compound CID : 11455910

分子式: C₃₃H₃₅NO₆S 分子量: 573.71

IUPAC Name: N-[4-(2-tert-butylphenyl)sulfonylphenyl]-2,3,4-trihydroxy-5-[(2-propan-2-ylphenyl)methyl]benzamide

SMILES: CC(C)C1=CC=CC=C1CC2=CC(=C(C(=C2O)O)O)C(=O)NC3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4C(C)(C)C

InChIKey: PQAPVTKIEGUPRN-UHFFFAOYSA-N

InChI: 1S/C33H35NO6S/c1-20(2)25-11-7-6-10-21(25)18-22-19-26(30(36)31(37)29(22)35)32(38)34-23-14-16-24(17-15-23)41(39,40)28-13-9-8-12-27(28)33(3,4)5/h6-17,19-20,35-37H,18H2,1-5H3,(H,34,38)
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1,2,3-三羟基蒽醌
- ≥98%
CAS号: 602-64-2

分子式: C₁₄H₈O₅ 分子量: 256.21

IUPAC Name: 1,2,3-trihydroxyanthracene-9,10-dione

SMILES: C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3C2=O)O)O)O

InChIKey: AHKDJQYHVWSRLT-UHFFFAOYSA-N

InChI: 1S/C14H8O5/c15-9-5-8-10(14(19)13(9)18)12(17)7-4-2-1-3-6(7)11(8)16/h1-5,15,18-19H
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NS-1643,HERG（Kv11.1）通道激活器
- ≥98%(HPLC)
CAS号: 448895-37-2

分子式: C₁₅H₁₀F₆N₂O₃ 分子量: 380.24

IUPAC Name: 1,3-bis[2-hydroxy-5-(trifluoromethyl)phenyl]urea

SMILES: C1=CC(=C(C=C1C(F)(F)F)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)O)O

InChIKey: NJFVQMRYJZHGME-UHFFFAOYSA-N

InChI: 1S/C15H10F6N2O3/c16-14(17,18)7-1-3-11(24)9(5-7)22-13(26)23-10-6-8(15(19,20)21)2-4-12(10)25/h1-6,24-25H,(H2,22,23,26)
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ABT-199 (GDC-0199),Bcl-2抑制剂
- ≥99%
CAS号: 1257044-40-8

分子式: C₄₅H₅₀ClN₇O₇S 分子量: 868.44

IUPAC Name: 4-[4-[[2-(4-chlorophenyl)-4,4-dimethylcyclohexen-1-yl]methyl]piperazin-1-yl]-N-[3-nitro-4-(oxan-4-ylmethylamino)phenyl]sulfonyl-2-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)benzamide

SMILES: CC1(CCC(=C(C1)C2=CC=C(C=C2)Cl)CN3CCN(CC3)C4=CC(=C(C=C4)C(=O)NS(=O)(=O)C5=CC(=C(C=C5)NCC6CCOCC6)[N+](=O)[O-])OC7=CN=C8C(=C7)C=CN8)C

InChIKey: LQBVNQSMGBZMKD-UHFFFAOYSA-N

InChI: 1S/C45H50ClN7O7S/c1-45(2)15-11-33(39(26-45)31-3-5-34(46)6-4-31)29-51-17-19-52(20-18-51)35-7-9-38(42(24-35)60-36-23-32-12-16-47-43(32)49-28-36)44(54)50-61(57,58)37-8-10-40(41(25-37)53(55)56)48-27-30-13See more
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β-雌二醇
- ≥98%
CAS号: 50-28-2 EC号: 200-023-8

分子式: C₁₈H₂₄O₂ 分子量: 272.38

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

InChI: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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β-雌二醇
- ≥99%
CAS号: 50-28-2 EC号: 200-023-8

分子式: C₁₈H₂₄O₂ 分子量: 272.38

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

InChI: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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β-雌二醇
- ≥99.5%
CAS号: 50-28-2 EC号: 200-023-8

分子式: C₁₈H₂₄O₂ 分子量: 272.38

IUPAC Name: (8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

SMILES: CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4)O

InChIKey: VOXZDWNPVJITMN-ZBRFXRBCSA-N

InChI: 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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藤黄酸
- ≥97%(HPLC)
CAS号: 2752-65-0

分子式: C₃₈H₄₄O₈ 分子量: 628.75

IUPAC Name: (Z)-4-[(1S,2S,8R,17S,19R)-12-hydroxy-8,21,21-trimethyl-5-(3-methylbut-2-enyl)-8-(4-methylpent-3-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11,15-pentaen-1See more

SMILES: CC(=CCCC1(C=CC2=C(C3=C(C(=C2O1)CC=C(C)C)OC45C6CC(C=C4C3=O)C(=O)C5(OC6(C)C)CC=C(C)C(=O)O)O)C)C

InChIKey: GEZHEQNLKAOMCA-RRZNCOCZSA-N

InChI: 1S/C38H44O8/c1-20(2)10-9-15-36(8)16-14-24-29(39)28-30(40)26-18-23-19-27-35(6,7)46-37(33(23)41,17-13-22(5)34(42)43)38(26,27)45-32(28)25(31(24)44-36)12-11-21(3)4/h10-11,13-14,16,18,23,27,39H,9,12,15,17,See more
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棉子酚
- ≥95%
CAS号: 303-45-7

分子式: C₃₀H₃₀O₈ 分子量: 518.55

IUPAC Name: 7-(8-formyl-1,6,7-trihydroxy-3-methyl-5-propan-2-ylnaphthalen-2-yl)-2,3,8-trihydroxy-6-methyl-4-propan-2-ylnaphthalene-1-carbaldehyde

SMILES: CC1=CC2=C(C(=C(C(=C2C(C)C)O)O)C=O)C(=C1C3=C(C4=C(C=C3C)C(=C(C(=C4C=O)O)O)C(C)C)O)O

InChIKey: QBKSWRVVCFFDOT-UHFFFAOYSA-N

InChI: 1S/C30H30O8/c1-11(2)19-15-7-13(5)21(27(35)23(15)17(9-31)25(33)29(19)37)22-14(6)8-16-20(12(3)4)30(38)26(34)18(10-32)24(16)28(22)36/h7-12,33-38H,1-6H3
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NS-1619,K Ca 1.1通道激活剂
- ≥98%
CAS号: 153587-01-0

分子式: C₁₅H₈F₆N₂O₂ 分子量: 362.23

IUPAC Name: 3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one

SMILES: C1=CC2=C(C=C1C(F)(F)F)NC(=O)N2C3=C(C=CC(=C3)C(F)(F)F)O

InChIKey: YLFMCMWKHSDUCT-UHFFFAOYSA-N

InChI: 1S/C15H8F6N2O2/c16-14(17,18)7-1-3-10-9(5-7)22-13(25)23(10)11-6-8(15(19,20)21)2-4-12(11)24/h1-6,24H,(H,22,25)
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A-1210477,MCL-1抑制剂
- ≥98%
CAS号: 1668553-26-1

分子式: C₄₆H₅₅N₇O₇S 分子量: 850.04

IUPAC Name: 7-[5-[[4-[4-(dimethylsulfamoyl)piperazin-1-yl]phenoxy]methyl]-1,3-dimethylpyrazol-4-yl]-1-(2-morpholin-4-ylethyl)-3-(3-naphthalen-1-yloxypropyl)indole-2-carboxylic acid

SMILES: CC1=NN(C(=C1C2=CC=CC3=C2N(C(=C3CCCOC4=CC=CC5=CC=CC=C54)C(=O)O)CCN6CCOCC6)COC7=CC=C(C=C7)N8CCN(CC8)S(=O)(=O)N(C)C)C

InChIKey: XMVAWGSQPHFXKU-UHFFFAOYSA-N

InChI: 1S/C46H55N7O7S/c1-33-43(41(49(4)47-33)32-60-36-19-17-35(18-20-36)51-22-24-52(25-23-51)61(56,57)48(2)3)40-14-8-13-38-39(15-9-29-59-42-16-7-11-34-10-5-6-12-37(34)42)45(46(54)55)53(44(38)40)26-21-50-27-3See more
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