激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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MGCD-265
- ≥98%
CAS号 : 875337-44-3 Compound CID : 24901704

分子式: C₂₆H₂₀FN₅O₂S₂ 分子量: 517.61

IUPAC Name: N-[[3-fluoro-4-[2-(1-methylimidazol-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]carbamothioyl]-2-phenylacetamide

SMILES: CN1C=C(N=C1)C2=CC3=NC=CC(=C3S2)OC4=C(C=C(C=C4)NC(=S)NC(=O)CC5=CC=CC=C5)F

InChIKey: UFICVEHDQUKCEA-UHFFFAOYSA-N

InChI: InChI=1S/C26H20FN5O2S2/c1-32-14-20(29-15-32)23-13-19-25(36-23)22(9-10-28-19)34-21-8-7-17(12-18(21)27)30-26(35)31-24(33)11-16-5-3-2-4-6-16/h2-10,12-15H,11H2,1H3,(H2,30,31,33,35)
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PF-5274857
- ≥98%
CAS号 : 1373615-35-0 Compound CID : 56956240

分子式: C₂₀H₂₅ClN₄O₃S 分子量: 436.96

IUPAC Name: 1-[4-[5-chloro-4-(3,5-dimethylpyridin-2-yl)pyridin-2-yl]piperazin-1-yl]-3-methylsulfonylpropan-1-one

SMILES: CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CCS(=O)(=O)C)C

InChIKey: BBVNTTZIOTWDSV-UHFFFAOYSA-N

InChI: InChI=1S/C20H25ClN4O3S/c1-14-10-15(2)20(23-12-14)16-11-18(22-13-17(16)21)24-5-7-25(8-6-24)19(26)4-9-29(3,27)28/h10-13H,4-9H2,1-3H3
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Foretinib (GSK1363089)
- 10mM in DMSO
CAS号 : 849217-64-7(DMSO)

分子式: C₃₄H₃₄F₂N₄O₆ 分子量: 632.65

SMILES: COC1=CC2=C(C=C1OCCCN3CCOCC3)N=CC=C2OC4=C(F)C=C(NC(=O)C5(CC5)C(=O)NC6=CC=C(F)C=C6)C=C4
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Sonidegib (NVP-LDE225)
- 10mM in DMSO
CAS号 : 956697-53-3(DMSO)

分子式: C₂₆H₂₆F₃N₃O₃ 分子量: 485.5

SMILES: CC1CN(CC(C)O1)C2=CC=C(NC(=O)C3=C(C)C(=CC=C3)C4=CC=C(OC(F)(F)F)C=C4)C=N2
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Linifanib (ABT-869)
- 10mM in DMSO
CAS号 : 796967-16-3(DMSO)

分子式: C₂₁H₁₈FN₅O 分子量: 375.41

SMILES: CC1=CC(=C(F)C=C1)NC(=O)NC2=CC=C(C=C2)C3=C4C(=N[NH]C4=CC=C3)N
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MGCD-265 analog
- 10mM in DMSO
CAS号 : 875337-44-3(DMSO)

分子式: C₂₆H₂₀FN₅O₂S₂ 分子量: 517.6

SMILES: C[N]1C=NC(=C1)C2=CC3=NC=CC(=C3S2)OC4=CC=C(NC(=S)NC(=O)CC5=CC=CC=C5)C=C4F
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PF-5274857
- 10mM in DMSO
CAS号 : 1373615-35-0(DMSO)

分子式: C₂₀H₂₅ClN₄O₃S 分子量: 436.96

SMILES: CC1=CC(=C(N=C1)C2=CC(=NC=C2Cl)N3CCN(CC3)C(=O)CC[S](C)(=O)=O)C
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Vismodegib (GDC-0449)
- 10mM in DMSO
CAS号 : 879085-55-9(DMSO)

分子式: C₁₉H₁₄Cl₂N₂O₃S 分子量: 421.3

SMILES: C[S](=O)(=O)C1=CC=C(C(=C1)Cl)C(=O)NC2=CC(=C(Cl)C=C2)C3=NC=CC=C3
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BGJ398 (NVP-BGJ398)
- 10mM in DMSO
CAS号 : 872511-34-7 Compound CID : 53235510

分子式: C₂₆H₃₁Cl₂N₇O₃ 分子量: 560.48

IUPAC Name: 3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-[6-[4-(4-ethylpiperazin-1-yl)anilino]pyrimidin-4-yl]-1-methylurea

SMILES: CCN1CCN(CC1)C2=CC=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl

InChIKey: QADPYRIHXKWUSV-UHFFFAOYSA-N

InChI: InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)
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格拉斯季吉(PF-04449913)
- 10mM in DMSO
CAS号 : 1095173-27-5 Compound CID : 25166913

分子式: C₂₁H₂₂N₆O 分子量: 374.44

IUPAC Name: 1-[(2R,4R)-2-(1H-benzimidazol-2-yl)-1-methylpiperidin-4-yl]-3-(4-cyanophenyl)urea

SMILES: CN1CCC(CC1C2=NC3=CC=CC=C3N2)NC(=O)NC4=CC=C(C=C4)C#N

InChIKey: SFNSLLSYNZWZQG-VQIMIIECSA-N

InChI: InChI=1S/C21H22N6O/c1-27-11-10-16(24-21(28)23-15-8-6-14(13-22)7-9-15)12-19(27)20-25-17-4-2-3-5-18(17)26-20/h2-9,16,19H,10-12H2,1H3,(H,25,26)(H2,23,24,28)/t16-,19-/m1/s1
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1-((3-Bromo-4-methoxyphenyl)sulfonyl)-4-methylpiperidine
CAS号 : 443668-51-7 Compound CID : 846306

分子式: C₁₃H₁₈BrNO₃S 分子量: 348.26

IUPAC Name: 1-(3-bromo-4-methoxyphenyl)sulfonyl-4-methylpiperidine

SMILES: CC1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC)Br

InChIKey: WUFYBGATQFSDDE-UHFFFAOYSA-N

InChI: InChI=1S/C13H18BrNO3S/c1-10-5-7-15(8-6-10)19(16,17)11-3-4-13(18-2)12(14)9-11/h3-4,9-10H,5-8H2,1-2H3

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1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
Compound CID : 778296

分子式: C₁₇H₁₉NO₄S 分子量: 333.4

IUPAC Name: 1-(2,5-dimethoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline

SMILES: COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCCC3=CC=CC=C32

InChIKey: WFUWHYHLVVRLEJ-UHFFFAOYSA-N

InChI: InChI=1S/C17H19NO4S/c1-21-14-9-10-16(22-2)17(12-14)23(19,20)18-11-5-7-13-6-3-4-8-15(13)18/h3-4,6,8-10,12H,5,7,11H2,1-2H3

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