激动剂、拮抗剂和抑制剂-生物科学-阿拉丁aladdin

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(±)-ML 209,RORγt反向激动剂
- ≥97%
CAS号 : 1334526-14-5

分子式: C₂₅H₃₁NO₆ 分子量: 441.52

IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one

SMILES: CC1CC(CN(C1)C(=O)CC(C2=CC3=C(C=C2)OCO3)C4=C(C=C(C=C4OC)OC)O)C

InChIKey: YEKVAIMYYCZDLI-MCPYQZEQSA-N

InChI: InChI=1S/C25H31NO6/c1-15-7-16(2)13-26(12-15)24(28)11-19(17-5-6-21-22(8-17)32-14-31-21)25-20(27)9-18(29-3)10-23(25)30-4/h5-6,8-10,15-16,19,27H,7,11-14H2,1-4H3/t15-,16+,19?
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GW9662
- 10mM in DMSO
CAS号 : 22978-25-2(DMSO)

分子式: C₁₃H₉ClN₂O₃ 分子量: 276.68

SMILES: [O-][N+](=O)C1=CC=C(Cl)C(=C1)C(=O)NC2=CC=CC=C2
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GSK2981278
- 10mM in DMSO
CAS号 : 1474110-21-8 Compound CID : 89875987

分子式: C₂₅H₃₅NO₅S 分子量: 461.61

IUPAC Name: N-(4-ethylphenyl)-3-(hydroxymethyl)-N-(2-methylpropyl)-4-(oxan-4-ylmethoxy)benzenesulfonamide

SMILES: CCC1=CC=C(C=C1)N(CC(C)C)S(=O)(=O)C2=CC(=C(C=C2)OCC3CCOCC3)CO

InChIKey: LZLBRISQTJVZNP-UHFFFAOYSA-N

InChI: InChI=1S/C25H35NO5S/c1-4-20-5-7-23(8-6-20)26(16-19(2)3)32(28,29)24-9-10-25(22(15-24)17-27)31-18-21-11-13-30-14-12-21/h5-10,15,19,21,27H,4,11-14,16-18H2,1-3H3
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PF-06747711
- 10mM in DMSO
CAS号 : 1892576-58-7(DMSO)

分子式: C₂₆H₂₆F₃N₅O₂ 分子量: 497.51

SMILES: CC(C)C(=O)N1CCC(CC1)C2=CN(C3=NC=C(C(=C23)C(F)(F)F)NC(=O)C4=CC=CC(=C4)C#N)C
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PF-06747711
- ≥99%
CAS号 : 1892576-58-7 Compound CID : 118977746

分子式: C₂₆H₂₆F₃N₅O₂ 分子量: 497.51

IUPAC Name: 3-cyano-N-[1-methyl-3-[1-(2-methylpropanoyl)piperidin-4-yl]-4-(trifluoromethyl)pyrrolo[2,3-b]pyridin-5-yl]benzamide

SMILES: CC(C)C(=O)N1CCC(CC1)C2=CN(C3=NC=C(C(=C23)C(F)(F)F)NC(=O)C4=CC=CC(=C4)C#N)C

InChIKey: BIHPJIJLDNUDGH-UHFFFAOYSA-N

InChI: InChI=1S/C26H26F3N5O2/c1-15(2)25(36)34-9-7-17(8-10-34)19-14-33(3)23-21(19)22(26(27,28)29)20(13-31-23)32-24(35)18-6-4-5-16(11-18)12-30/h4-6,11,13-15,17H,7-10H2,1-3H3,(H,32,35)
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GNE-0946
- ≥98%
CAS号 : 1677667-24-1 Compound CID : 91664317

分子式: C₂₂H₁₂ClF₃N₂O₄ 分子量: 460.79

IUPAC Name: 4-[3-[2-chloro-6-(trifluoromethyl)benzoyl]imidazo[1,5-a]pyridin-1-yl]-2-hydroxybenzoic acid

SMILES: C1=CC2=C(N=C(N2C=C1)C(=O)C3=C(C=CC=C3Cl)C(F)(F)F)C4=CC(=C(C=C4)C(=O)O)O

InChIKey: UAAUZNSONHHQQI-UHFFFAOYSA-N

InChI: InChI=1S/C22H12ClF3N2O4/c23-14-5-3-4-13(22(24,25)26)17(14)19(30)20-27-18(15-6-1-2-9-28(15)20)11-7-8-12(21(31)32)16(29)10-11/h1-10,29H,(H,31,32)
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XY101
- ≥98%
CAS号 : 2349368-16-5 Compound CID : 138105957

分子式: C₂₅H₂₀F₇NO₄S 分子量: 563.48

IUPAC Name: 2-(4-ethylsulfonylphenyl)-N-[4-[2-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]acetamide

SMILES: CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F

InChIKey: AUIAOCHKUNGZHV-UHFFFAOYSA-N

InChI: InChI=1S/C25H20F7NO4S/c1-2-38(36,37)19-10-3-15(4-11-19)13-22(34)33-18-8-5-16(6-9-18)20-12-7-17(14-21(20)26)23(35,24(27,28)29)25(30,31)32/h3-12,14,35H,2,13H2,1H3,(H,33,34)
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GNE-6468
- ≥98%
CAS号 : 1677668-27-7 Compound CID : 117964975

分子式: C₂₃H₁₆ClN₃O₄ 分子量: 433.84

IUPAC Name: 4-[6-(2-chloro-6-cyclopropylbenzoyl)imidazo[1,5-a]pyrimidin-8-yl]-2-hydroxybenzoic acid

SMILES: C1CC1C2=C(C(=CC=C2)Cl)C(=O)C3=NC(=C4N3C=CC=N4)C5=CC(=C(C=C5)C(=O)O)O

InChIKey: GIYKJPISDNWSJD-UHFFFAOYSA-N

InChI: InChI=1S/C23H16ClN3O4/c24-16-4-1-3-14(12-5-6-12)18(16)20(29)22-26-19(21-25-9-2-10-27(21)22)13-7-8-15(23(30)31)17(28)11-13/h1-4,7-12,28H,5-6H2,(H,30,31)
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GNE-6468
- 10mM in DMSO
CAS号 : 1677668-27-7(DMSO)

分子式: C₂₃H₁₆ClN₃O₄ 分子量: 433.84

SMILES: C1CC1C2=C(C(=CC=C2)Cl)C(=O)C3=NC(=C4N3C=CC=N4)C5=CC(=C(C=C5)C(=O)O)O
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XY101
- 10mM in DMSO
CAS号 : 2349368-16-5(DMSO)

分子式: C₂₅H₂₀F₇NO₄S 分子量: 563.48

SMILES: CCS(=O)(=O)C1=CC=C(C=C1)CC(=O)NC2=CC=C(C=C2)C3=C(C=C(C=C3)C(C(F)(F)F)(C(F)(F)F)O)F
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N-(4-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamido)phenyl)acetamide
CAS号 : 438488-87-0 Compound CID : 1523409

分子式: C₂₁H₁₉N₃O₄S 分子量: 409.5

IUPAC Name: N-[4-[(1-ethyl-2-oxobenzo[cd]indol-6-yl)sulfonylamino]phenyl]acetamide

SMILES: CCN1C2=C3C(=C(C=C2)S(=O)(=O)NC4=CC=C(C=C4)NC(=O)C)C=CC=C3C1=O

InChIKey: HQYQJCSODDOMTE-UHFFFAOYSA-N

InChI: InChI=1S/C21H19N3O4S/c1-3-24-18-11-12-19(16-5-4-6-17(20(16)18)21(24)26)29(27,28)23-15-9-7-14(8-10-15)22-13(2)25/h4-12,23H,3H2,1-2H3,(H,22,25)

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T0901317，LXR激动剂
- ≥98%
CAS号 : 293754-55-9 Compound CID : 447912

分子式: C₁₇H₁₂F₉NO₃S 分子量: 481.33

IUPAC Name: N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-(2,2,2-trifluoroethyl)benzenesulfonamide

SMILES: C1=CC=C(C=C1)S(=O)(=O)N(CC(F)(F)F)C2=CC=C(C=C2)C(C(F)(F)F)(C(F)(F)F)O

InChIKey: SGIWFELWJPNFDH-UHFFFAOYSA-N

InChI: InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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