按“信号通路”分类 - 小分子和化合物库

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OSI-930,Kit (c-Kit)， KDR和CSF-1R抑制剂
- ≥98%
CAS号: 728033-96-3

分子式: C₂₂H₁₆F₃N₃O₂S 分子量: 443.45

IUPAC Name: 3-(quinolin-4-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-carboxamide

SMILES: C1=CC=C2C(=C1)C(=CC=N2)CNC3=C(SC=C3)C(=O)NC4=CC=C(C=C4)OC(F)(F)F

InChIKey: FGTCROZDHDSNIO-UHFFFAOYSA-N

InChI: 1S/C22H16F3N3O2S/c23-22(24,25)30-16-7-5-15(6-8-16)28-21(29)20-19(10-12-31-20)27-13-14-9-11-26-18-4-2-1-3-17(14)18/h1-12,27H,13H2,(H,28,29)
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PLX-4720,B-Raf抑制剂
- ≥99%
CAS号: 918505-84-7

分子式: C₁₇H₁₄ClF₂N₃O₃S 分子量: 413.83

IUPAC Name: N-[3-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-carbonyl)-2,4-difluorophenyl]propane-1-sulfonamide

SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)Cl)F

InChIKey: YZDJQTHVDDOVHR-UHFFFAOYSA-N

InChI: 1S/C17H14ClF2N3O3S/c1-2-5-27(25,26)23-13-4-3-12(19)14(15(13)20)16(24)11-8-22-17-10(11)6-9(18)7-21-17/h3-4,6-8,23H,2,5H2,1H3,(H,21,22)
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RAF265 (CHIR-265),Raf激酶和VEGFR-2抑制剂
- ≥98%
CAS号: 927880-90-8 Compound CID : 11656518

分子式: C₂₄H₁₆F₆N₆O 分子量: 518.43

IUPAC Name: 1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine

SMILES: CN1C2=C(C=C(C=C2)OC3=CC(=NC=C3)C4=NC=C(N4)C(F)(F)F)N=C1NC5=CC=C(C=C5)C(F)(F)F

InChIKey: YABJJWZLRMPFSI-UHFFFAOYSA-N

InChI: 1S/C24H16F6N6O/c1-36-19-7-6-15(10-17(19)34-22(36)33-14-4-2-13(3-5-14)23(25,26)27)37-16-8-9-31-18(11-16)21-32-12-20(35-21)24(28,29)30/h2-12H,1H3,(H,32,35)(H,33,34)
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瑞格非尼
- ≥99%
CAS号: 755037-03-7 Compound CID : 11167602

分子式: C₂₁H₁₅ClF₄N₄O₃ 分子量: 482.82

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide

SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC(=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)F

InChIKey: FNHKPVJBJVTLMP-UHFFFAOYSA-N

InChI: 1S/C21H15ClF4N4O3/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26/h2-10H,1H3,(H,27,31)(H2,29,30,32)
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星形孢菌素
- ≥98%
CAS号: 62996-74-1 Compound CID : 44259

分子式: C₂₈H₂₆N₄O₃ 分子量: 466.53

IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

SMILES: CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

InChIKey: HKSZLNNOFSGOKW-FYTWVXJKSA-N

InChI: 1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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苏尼替尼
- ≥99%
CAS号: 557795-19-4 Compound CID : 5329102

分子式: C₂₂H₂₇FN₄O₂ 分子量: 398.47

IUPAC Name: N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fluoro-2-oxo-1H-indol-3-ylidene)methyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

SMILES: CCN(CC)CCNC(=O)C1=C(NC(=C1C)C=C2C3=C(C=CC(=C3)F)NC2=O)C

InChIKey: WINHZLLDWRZWRT-ATVHPVEESA-N

InChI: 1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12-
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索拉非尼
- ≥99%
CAS号: 284461-73-0

分子式: C₂₁H₁₆ClF₃N₄O₃ 分子量: 464.83

IUPAC Name: 4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

SMILES: CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

InChIKey: MLDQJTXFUGDVEO-UHFFFAOYSA-N

InChI: 1S/C21H16ClF3N4O3/c1-26-19(30)18-11-15(8-9-27-18)32-14-5-2-12(3-6-14)28-20(31)29-13-4-7-17(22)16(10-13)21(23,24)25/h2-11H,1H3,(H,26,30)(H2,28,29,31)
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SB590885,B-Raf激酶抑制剂
- ≥98%
CAS号: 405554-55-4 Compound CID : 135421339

分子式: C₂₇H₂₇N₅O₂ 分子量: 453.54

IUPAC Name: (NE)-N-[5-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-2,3-dihydroinden-1-ylidene]hydroxylamine

SMILES: CN(C)CCOC1=CC=C(C=C1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC5=C(C=C4)C(=NO)CC5

InChIKey: MLSAQOINCGAULQ-QFMPWRQOSA-N

InChI: 1S/C27H27N5O2/c1-32(2)15-16-34-22-7-3-19(4-8-22)27-29-25(18-11-13-28-14-12-18)26(30-27)21-5-9-23-20(17-21)6-10-24(23)31-33/h3-5,7-9,11-14,17,33H,6,10,15-16H2,1-2H3,(H,29,30)/b31-24+
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TSU-68（SU6668，Orantinib）,PDGFR抑制剂
- ≥98%
CAS号: 252916-29-3 Compound CID : 5329099

分子式: C₁₈H₁₈N₂O₃ 分子量: 310.35

IUPAC Name: 3-[2,4-dimethyl-5-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid

SMILES: CC1=C(NC(=C1CCC(=O)O)C)C=C2C3=CC=CC=C3NC2=O

InChIKey: NHFDRBXTEDBWCZ-ZROIWOOFSA-N

InChI: 1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-
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维罗非尼(PLX4032,RG7204)
- ≥98%
CAS号: 918504-65-1 Compound CID : 42611257

分子式: C₂₃H₁₈ClF₂N₃O₃S 分子量: 489.92

IUPAC Name: N-[3-[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]propane-1-sulfonamide

SMILES: CCCS(=O)(=O)NC1=C(C(=C(C=C1)F)C(=O)C2=CNC3=C2C=C(C=N3)C4=CC=C(C=C4)Cl)F

InChIKey: GPXBXXGIAQBQNI-UHFFFAOYSA-N

InChI: 1S/C23H18ClF2N3O3S/c1-2-9-33(31,32)29-19-8-7-18(25)20(21(19)26)22(30)17-12-28-23-16(17)10-14(11-27-23)13-3-5-15(24)6-4-13/h3-8,10-12,29H,2,9H2,1H3,(H,27,28)
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ZM 336372,c-Raf抑制剂
- ≥98%
CAS号: 208260-29-1 Compound CID : 5730

分子式: C₂₃H₂₃N₃O₃ 分子量: 389.45

IUPAC Name: 3-(dimethylamino)-N-[3-[(4-hydroxybenzoyl)amino]-4-methylphenyl]benzamide

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)N(C)C)NC(=O)C3=CC=C(C=C3)O

InChIKey: PYEFPDQFAZNXLI-UHFFFAOYSA-N

InChI: 1S/C23H23N3O3/c1-15-7-10-18(24-23(29)17-5-4-6-19(13-17)26(2)3)14-21(15)25-22(28)16-8-11-20(27)12-9-16/h4-14,27H,1-3H3,(H,24,29)(H,25,28)
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伯舒替尼 (SKI-606)
- ≥99%
CAS号: 380843-75-4

分子式: C₂₆H₂₉Cl₂N₅O₃ 分子量: 530.45

IUPAC Name: 4-(2,4-dichloro-5-methoxyanilino)-6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinoline-3-carbonitrile

SMILES: CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC

InChIKey: UBPYILGKFZZVDX-UHFFFAOYSA-N

InChI: 1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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