按“信号通路”分类 - 小分子和化合物库

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PP2,Src和RIP2激酶抑制剂
- ≥98%
CAS号: 172889-27-9 EC号: 878-892-3

分子式: C₁₅H₁₆ClN₅ 分子量: 301.77

IUPAC Name: 1-tert-butyl-3-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

SMILES: CC(C)(C)N1C2=NC=NC(=C2C(=N1)C3=CC=C(C=C3)Cl)N

InChIKey: PBBRWFOVCUAONR-UHFFFAOYSA-N

InChI: 1S/C15H16ClN5/c1-15(2,3)21-14-11(13(17)18-8-19-14)12(20-21)9-4-6-10(16)7-5-9/h4-8H,1-3H3,(H2,17,18,19)
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普纳替尼 (AP24534)
- ≥99%
CAS号: 943319-70-8

分子式: C₂₉H₂₇F₃N₆O 分子量: 532.57

IUPAC Name: 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]benzamide

SMILES: CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)CN3CCN(CC3)C)C(F)(F)F)C#CC4=CN=C5N4N=CC=C5

InChIKey: PHXJVRSECIGDHY-UHFFFAOYSA-N

InChI: 1S/C29H27F3N6O/c1-20-5-6-22(16-21(20)8-10-25-18-33-27-4-3-11-34-38(25)27)28(39)35-24-9-7-23(26(17-24)29(30,31)32)19-37-14-12-36(2)13-15-37/h3-7,9,11,16-18H,12-15,19H2,1-2H3,(H,35,39)
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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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SB-203580,p38 MAPK抑制剂
- ≥98%(HPLC)
CAS号: 152121-47-6 Compound CID : 176155

分子式: C₂₁H₁₆FN₃OS 分子量: 377.43

IUPAC Name: 4-[4-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-1H-imidazol-5-yl]pyridine

SMILES: CS(=O)C1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F

InChIKey: CDMGBJANTYXAIV-UHFFFAOYSA-N

InChI: 1S/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)
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凡德他尼
- ≥99%
CAS号: 443913-73-3 Compound CID : 3081361

分子式: C₂₂H₂₄BrFN₄O₂ 分子量: 475.36

IUPAC Name: N-(4-bromo-2-fluorophenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine

SMILES: CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC

InChIKey: UHTHHESEBZOYNR-UHFFFAOYSA-N

InChI: 1S/C22H24BrFN4O2/c1-28-7-5-14(6-8-28)12-30-21-11-19-16(10-20(21)29-2)22(26-13-25-19)27-18-4-3-15(23)9-17(18)24/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H,25,26,27)
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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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达沙替尼
- ≥99%
CAS号: 302962-49-8 EC号: 801-607-0

分子式: C₂₂H₂₆ClN₇O₂S 分子量: 488.01

IUPAC Name: N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

SMILES: CC1=C(C(=CC=C1)Cl)NC(=O)C2=CN=C(S2)NC3=CC(=NC(=N3)C)N4CCN(CC4)CCO

InChIKey: ZBNZXTGUTAYRHI-UHFFFAOYSA-N

InChI: 1S/C22H26ClN7O2S/c1-14-4-3-5-16(23)20(14)28-21(32)17-13-24-22(33-17)27-18-12-19(26-15(2)25-18)30-8-6-29(7-9-30)10-11-31/h3-5,12-13,31H,6-11H2,1-2H3,(H,28,32)(H,24,25,26,27)
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Src 抑制剂-1
- ≥98%(HPLC)
CAS号: 179248-59-0

分子式: C₂₂H₁₉N₃O₃ 分子量: 373.4

IUPAC Name: 6,7-dimethoxy-N-(4-phenoxyphenyl)quinazolin-4-amine

SMILES: COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4)OC

InChIKey: DMWVGXGXHPOEPT-UHFFFAOYSA-N

InChI: 1S/C22H19N3O3/c1-26-20-12-18-19(13-21(20)27-2)23-14-24-22(18)25-15-8-10-17(11-9-15)28-16-6-4-3-5-7-16/h3-14H,1-2H3,(H,23,24,25)
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Foretinib (GSK1363089),抑制剂
- ≥98%
CAS号: 849217-64-7

分子式: C₃₄H₃₄F₂N₄O₆ 分子量: 632.65

IUPAC Name: 1-N'-[3-fluoro-4-[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide

SMILES: COC1=CC2=C(C=CN=C2C=C1OCCCN3CCOCC3)OC4=C(C=C(C=C4)NC(=O)C5(CC5)C(=O)NC6=CC=C(C=C6)F)F

InChIKey: CXQHYVUVSFXTMY-UHFFFAOYSA-N

InChI: 1S/C34H34F2N4O6/c1-43-30-20-25-27(21-31(30)45-16-2-13-40-14-17-44-18-15-40)37-12-9-28(25)46-29-8-7-24(19-26(29)36)39-33(42)34(10-11-34)32(41)38-23-5-3-22(35)4-6-23/h3-9,12,19-21H,2,10-11,13-18H2,1H3,(See more
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吉非替尼 (ZD1839)
- ≥99%
CAS号: 184475-35-2

分子式: C₂₂H₂₄ClFN₄O₃ 分子量: 446.9

IUPAC Name: N-(3-chloro-4-fluorophenyl)-7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-amine

SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)F)Cl)OCCCN4CCOCC4

InChIKey: XGALLCVXEZPNRQ-UHFFFAOYSA-N

InChI: 1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)
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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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乐伐替尼 (E7080)
- ≥99%
CAS号: 417716-92-8

分子式: C₂₁H₁₉ClN₄O₄ 分子量: 426.85

IUPAC Name: 4-[3-chloro-4-(cyclopropylcarbamoylamino)phenoxy]-7-methoxyquinoline-6-carboxamide

SMILES: COC1=CC2=NC=CC(=C2C=C1C(=O)N)OC3=CC(=C(C=C3)NC(=O)NC4CC4)Cl

InChIKey: WOSKHXYHFSIKNG-UHFFFAOYSA-N

InChI: 1S/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
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