按“信号通路”分类 - 小分子和化合物库

收藏夹比较
AMG-900
- ≥98%
CAS号: 945595-80-2

分子式: C₂₈H₂₁N₇OS 分子量: 503.58

IUPAC Name: N-[4-[3-(2-aminopyrimidin-4-yl)pyridin-2-yl]oxyphenyl]-4-(4-methylthiophen-2-yl)phthalazin-1-amine

SMILES: CC1=CSC(=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=C(C=C4)OC5=C(C=CC=N5)C6=NC(=NC=C6)N

InChIKey: IVUGFMLRJOCGAS-UHFFFAOYSA-N

InChI: 1S/C28H21N7OS/c1-17-15-24(37-16-17)25-20-5-2-3-6-21(20)26(35-34-25)32-18-8-10-19(11-9-18)36-27-22(7-4-13-30-27)23-12-14-31-28(29)33-23/h2-16H,1H3,(H,32,35)(H2,29,31,33)
详情

查看价格关闭
收藏夹比较
腺嘌呤核苷
- ≥99%
- BC
CAS号: 58-61-7 EC号: 200-389-9

分子式: C₁₀H₁₃N₅O₄ 分子量: 267.24

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

InChI: 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
详情

查看价格关闭
收藏夹比较
AZD1152
- ≥98%
CAS号: 722543-31-9

分子式: C₂₆H₃₁FN₇O₆P 分子量: 587.54

IUPAC Name: 2-[ethyl-[3-[4-[[5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl]amino]quinazolin-7-yl]oxypropyl]amino]ethyl dihydrogen phosphate

SMILES: CCN(CCCOC1=CC2=C(C=C1)C(=NC=N2)NC3=NNC(=C3)CC(=O)NC4=CC(=CC=C4)F)CCOP(=O)(O)O

InChIKey: GBJVVSCPOBPEIT-UHFFFAOYSA-N

InChI: 1S/C26H31FN7O6P/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,See more
详情

查看价格关闭
收藏夹比较
腺嘌呤核苷
- ≥99.5%
CAS号: 58-61-7 EC号: 200-389-9

分子式: C₁₀H₁₃N₅O₄ 分子量: 267.24

IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)O)O)N

InChIKey: OIRDTQYFTABQOQ-KQYNXXCUSA-N

InChI: 1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
详情

查看价格关闭
收藏夹比较
MLN8054
- ≥97%
CAS号: 869363-13-3

分子式: C₂₅H₁₅ClF₂N₄O₂ 分子量: 476.86

IUPAC Name: 4-[[9-chloro-7-(2,6-difluorophenyl)-5H-pyrimido[5,4-d][2]benzazepin-2-yl]amino]benzoic acid

SMILES: C1C2=CN=C(N=C2C3=C(C=C(C=C3)Cl)C(=N1)C4=C(C=CC=C4F)F)NC5=CC=C(C=C5)C(=O)O

InChIKey: HHFBDROWDBDFBR-UHFFFAOYSA-N

InChI: 1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)
详情

查看价格关闭
收藏夹比较
MK-5108(VX-689),Aurora A抑制剂
- ≥98%
CAS号: 1010085-13-8

分子式: C₂₂H₂₁ClFN₃O₃S 分子量: 461.94

IUPAC Name: 4-(3-chloro-2-fluorophenoxy)-1-[[6-(1,3-thiazol-2-ylamino)pyridin-2-yl]methyl]cyclohexane-1-carboxylic acid

SMILES: C1CC(CCC1OC2=C(C(=CC=C2)Cl)F)(CC3=NC(=CC=C3)NC4=NC=CS4)C(=O)O

InChIKey: LCVIRAZGMYMNNT-UHFFFAOYSA-N

InChI: 1S/C22H21ClFN3O3S/c23-16-4-2-5-17(19(16)24)30-15-7-9-22(10-8-15,20(28)29)13-14-3-1-6-18(26-14)27-21-25-11-12-31-21/h1-6,11-12,15H,7-10,13H2,(H,28,29)(H,25,26,27)
详情

查看价格关闭
收藏夹比较
PHA-680632
- ≥98%
CAS号: 398493-79-3

分子式: C₂₈H₃₅N₇O₂ 分子量: 501.64

IUPAC Name: N-(2,6-diethylphenyl)-3-[[4-(4-methylpiperazin-1-yl)benzoyl]amino]-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxamide

SMILES: CCC1=C(C(=CC=C1)CC)NC(=O)N2CC3=C(C2)NN=C3NC(=O)C4=CC=C(C=C4)N5CCN(CC5)C

InChIKey: OBWNXGOQPLDDPS-UHFFFAOYSA-N

InChI: 1S/C28H35N7O2/c1-4-19-7-6-8-20(5-2)25(19)29-28(37)35-17-23-24(18-35)31-32-26(23)30-27(36)21-9-11-22(12-10-21)34-15-13-33(3)14-16-34/h6-12H,4-5,13-18H2,1-3H3,(H,29,37)(H2,30,31,32,36)
详情

查看价格关闭
收藏夹比较
PF-562271,可逆FAK抑制剂
- ≥98%
CAS号: 717907-75-0

分子式: C₂₁H₂₀F₃N₇O₃S 分子量: 507.49

IUPAC Name: N-methyl-N-[3-[[[2-[(2-oxo-1,3-dihydroindol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pyridin-2-yl]methanesulfonamide

SMILES: CN(C1=C(C=CC=N1)CNC2=NC(=NC=C2C(F)(F)F)NC3=CC4=C(C=C3)NC(=O)C4)S(=O)(=O)C

InChIKey: MZDKLVOWGIOKTN-UHFFFAOYSA-N

InChI: 1S/C21H20F3N7O3S/c1-31(35(2,33)34)19-12(4-3-7-25-19)10-26-18-15(21(22,23)24)11-27-20(30-18)28-14-5-6-16-13(8-14)9-17(32)29-16/h3-8,11H,9-10H2,1-2H3,(H,29,32)(H2,26,27,28,30)
详情

查看价格关闭
收藏夹比较
瑞德南特(Preladenant)
- ≥98%
CAS号: 377727-87-2

分子式: C₂₅H₂₉N₉O₃ 分子量: 503.56

IUPAC Name: 4-(furan-2-yl)-10-[2-[4-[4-(2-methoxyethoxy)phenyl]piperazin-1-yl]ethyl]-3,5,6,8,10,11-hexazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaen-7-amine

SMILES: COCCOC1=CC=C(C=C1)N2CCN(CC2)CCN3C4=C(C=N3)C5=NC(=NN5C(=N4)N)C6=CC=CO6

InChIKey: DTYWJKSSUANMHD-UHFFFAOYSA-N

InChI: 1S/C25H29N9O3/c1-35-15-16-36-19-6-4-18(5-7-19)32-11-8-31(9-12-32)10-13-33-23-20(17-27-33)24-28-22(21-3-2-14-37-21)30-34(24)25(26)29-23/h2-7,14,17H,8-13,15-16H2,1H3,(H2,26,29)
详情

查看价格关闭
收藏夹比较
PF-03814735,Aurora激酶A和B抑制剂
- ≥98%
CAS号: 942487-16-3

分子式: C₂₃H₂₅F₃N₆O₂ 分子量: 474.48

IUPAC Name: N-[2-[(1R,8S)-4-[[4-(cyclobutylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-11-azatricyclo[6.2.1.02,7]undeca-2(7),3,5-trien-11-yl]-2-oxoethyl]acetamide

SMILES: CC(=O)NCC(=O)N1C2CCC1C3=C2C=CC(=C3)NC4=NC=C(C(=N4)NC5CCC5)C(F)(F)F

InChIKey: RYYNGWLOYLRZLK-RBUKOAKNSA-N

InChI: 1S/C23H25F3N6O2/c1-12(33)27-11-20(34)32-18-7-8-19(32)16-9-14(5-6-15(16)18)30-22-28-10-17(23(24,25)26)21(31-22)29-13-3-2-4-13/h5-6,9-10,13,18-19H,2-4,7-8,11H2,1H3,(H,27,33)(H2,28,29,30,31)/t18-,19+/m0/See more
详情

查看价格关闭
收藏夹比较
R1530,多RTK抑制剂
- ≥98%
CAS号: 882531-87-5 EC号: 809-817-4 Compound CID : 135398512

分子式: C₁₈H₁₄ClFN₄O 分子量: 356.78

IUPAC Name: 5-(2-chlorophenyl)-7-fluoro-8-methoxy-3-methyl-2,10-dihydropyrazolo[3,4-b][1,4]benzodiazepine

SMILES: CC1=C2C(=NN1)NC3=CC(=C(C=C3C(=N2)C4=CC=CC=C4Cl)F)OC

InChIKey: UOVCGJXDGOGOCZ-UHFFFAOYSA-N

InChI: 1S/C18H14ClFN4O/c1-9-16-18(24-23-9)21-14-8-15(25-2)13(20)7-11(14)17(22-16)10-5-3-4-6-12(10)19/h3-8H,1-2H3,(H2,21,23,24)
详情

查看价格关闭
收藏夹比较
贝森替尼
- ≥98%
CAS号: 1037624-75-1 Compound CID : 46215462

分子式: C₃₀H₃₄N₈ 分子量: 506.64

IUPAC Name: 1-(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-[(7S)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine

SMILES: C1CCN(C1)C2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76

InChIKey: KXMZDGSRSGHMMK-VWLOTQADSA-N

InChI: 1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,3See more
详情

查看价格关闭