激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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GNF-7,Ras信号抑制剂
- ≥97%
CAS号 : 839706-07-9 Compound CID : 11478363

分子式: C₂₈H₂₄F₃N₇O₂ 分子量: 547.542

IUPAC Name: N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CN=C(C=C5)C

InChIKey: SZNYUUZOQHNEKB-UHFFFAOYSA-N

InChI: InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36)
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Bosutinib (SKI-606)
- 10mM in DMSO
CAS号 : 380843-75-4(DMSO)

分子式: C₂₆H₂₉Cl₂N₅O₃ 分子量: 530.45

SMILES: COC1=C(Cl)C=C(Cl)C(=C1)NC2=C(C=NC3=CC(=C(OC)C=C23)OCCCN4CCN(C)CC4)C#N
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Dasatinib (BMS-354825)
- 10mM in DMSO
CAS号 : 302962-49-8(DMSO)

分子式: C₂₂H₂₆ClN₇O₂S 分子量: 488.01

SMILES: CC1=NC(=CC(=N1)N2CCN(CCO)CC2)NC3=NC=C(S3)C(=O)NC4=C(Cl)C=CC=C4C
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SB202190 (FHPI)
- 10mM in DMSO
CAS号 : 152121-30-7(DMSO)

分子式: C₂₀H₁₄N₃OF 分子量: 331.34

SMILES: OC1=CC=C(C=C1)C2=NC(=C([NH]2)C3=CC=NC=C3)C4=CC=C(F)C=C4
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SB 203580（DMSO溶液）
- 10mM in DMSO
CAS号 : 152121-47-6(DMSO)

分子式: C₂₁H₁₆FN₃OS 分子量: 377.43

SMILES: C[S](=O)C1=CC=C(C=C1)C2=NC(=C([NH]2)C3=CC=NC=C3)C4=CC=C(F)C=C4
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阿卡拉布替尼（ACP-196）
- 10mM in DMSO
CAS号 : 1420477-60-6(DMSO)

分子式: C₂₆H₂₃N₇O₂ 分子量: 465.51

SMILES: CC#CC(=O)N1CCCC1C2=NC(=C3[N]2C=CN=C3N)C4=CC=C(C=C4)C(=O)NC5=NC=CC=C5
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GRA Ex-25
- ≥98%
CAS号 : 307983-31-9 Compound CID : 16100296

分子式: C₂₉H₃₆F₃N₃O₅ 分子量: 563.61

IUPAC Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzoyl]amino]propanoic acid

SMILES: CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)C(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChIKey: BZXMLCVDKDXRQY-UHFFFAOYSA-N

InChI: InChI=1S/C29H36F3N3O5/c1-28(2,3)21-8-12-23(13-9-21)35(27(39)34-22-10-14-24(15-11-22)40-29(30,31)32)18-19-4-6-20(7-5-19)26(38)33-17-16-25(36)37/h4-7,10-11,14-15,21,23H,8-9,12-13,16-18H2,1-3H3,(H,33,38)(H,34,39)(H,36,37)
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BMS-935177
- ≥99%
CAS号 : 1231889-53-4 Compound CID : 70647728

分子式: C₃₁H₂₆N₄O₃ 分子量: 502.56

IUPAC Name: 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide

SMILES: CC1=C(C=CC=C1N2C=NC3=CC=CC=C3C2=O)C4=C5C6=C(C=C(C=C6)C(C)(C)O)NC5=C(C=C4)C(=O)N

InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N

InChI: InChI=1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36)
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Adomeglivant
- 10mM in DMSO
CAS号 : 1488363-78-5 Compound CID : 91933867

分子式: C₃₂H₃₆F₃NO₄ 分子量: 555.63

IUPAC Name: 3-[[4-[(1S)-1-[4-(4-tert-butylphenyl)-3,5-dimethylphenoxy]-4,4,4-trifluorobutyl]benzoyl]amino]propanoic acid

SMILES: CC1=CC(=CC(=C1C2=CC=C(C=C2)C(C)(C)C)C)OC(CCC(F)(F)F)C3=CC=C(C=C3)C(=O)NCCC(=O)O

InChIKey: FASLTMSUPQDLIB-MHZLTWQESA-N

InChI: InChI=1S/C32H36F3NO4/c1-20-18-26(19-21(2)29(20)23-10-12-25(13-11-23)31(3,4)5)40-27(14-16-32(33,34)35)22-6-8-24(9-7-22)30(39)36-17-15-28(37)38/h6-13,18-19,27H,14-17H2,1-5H3,(H,36,39)(H,37,38)/t27-/m0/s1
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BMS-935177
- 10mM in DMSO
CAS号 : 1231889-53-4 Compound CID : 70647728

分子式: C₃₁H₂₆N₄O₃ 分子量: 502.56

IUPAC Name: 7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(4-oxoquinazolin-3-yl)phenyl]-9H-carbazole-1-carboxamide

SMILES: CC1=C(C=CC=C1N2C=NC3=CC=CC=C3C2=O)C4=C5C6=C(C=C(C=C6)C(C)(C)O)NC5=C(C=C4)C(=O)N

InChIKey: TVJRDCQUZMGBAB-UHFFFAOYSA-N

InChI: InChI=1S/C31H26N4O3/c1-17-19(8-6-10-26(17)35-16-33-24-9-5-4-7-22(24)30(35)37)20-13-14-23(29(32)36)28-27(20)21-12-11-18(31(2,3)38)15-25(21)34-28/h4-16,34,38H,1-3H3,(H2,32,36)
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GNF-7
- 10mM in DMSO
CAS号 : 839706-07-9 Compound CID : 11478363

分子式: C₂₈H₂₄F₃N₇O₂ 分子量: 547.542

IUPAC Name: N-[4-methyl-3-[1-methyl-7-[(6-methylpyridin-3-yl)amino]-2-oxo-4H-pyrimido[4,5-d]pyrimidin-3-yl]phenyl]-3-(trifluoromethyl)benzamide

SMILES: CC1=C(C=C(C=C1)NC(=O)C2=CC(=CC=C2)C(F)(F)F)N3CC4=CN=C(N=C4N(C3=O)C)NC5=CN=C(C=C5)C

InChIKey: SZNYUUZOQHNEKB-UHFFFAOYSA-N

InChI: InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36)
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PF-06291874
- ≥99%
CAS号 : 1393124-08-7 Compound CID : 60151939

分子式: C₂₆H₂₈F₃N₃O₄ 分子量: 503.51

IUPAC Name: 3-[[4-[(1S)-1-[3,5-dimethyl-4-[4-(trifluoromethyl)pyrazol-1-yl]phenoxy]butyl]benzoyl]amino]propanoic acid

SMILES: CCCC(C1=CC=C(C=C1)C(=O)NCCC(=O)O)OC2=CC(=C(C(=C2)C)N3C=C(C=N3)C(F)(F)F)C

InChIKey: IBDYYOQKQCCSDP-QFIPXVFZSA-N

InChI: InChI=1S/C26H28F3N3O4/c1-4-5-22(18-6-8-19(9-7-18)25(35)30-11-10-23(33)34)36-21-12-16(2)24(17(3)13-21)32-15-20(14-31-32)26(27,28)29/h6-9,12-15,22H,4-5,10-11H2,1-3H3,(H,30,35)(H,33,34)/t22-/m0/s1
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