配体家族 - 小分子和化合物库

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2-(2,6-二氯苯氨基)苯乙酸
- ≥98%
CAS号: 15307-86-5

分子式: C₁₄H₁₁Cl₂NO₂ 分子量: 296.15

IUPAC Name: 2-[2-(2,6-dichloroanilino)phenyl]acetic acid

SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=CC=C2Cl)Cl

InChIKey: DCOPUUMXTXDBNB-UHFFFAOYSA-N

InChI: 1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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CXCL6
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CXCL8
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GSK321
- ≥99%
CAS号: 1816331-63-1 Compound CID : 91864709

分子式: C₂₈H₂₈FN₅O₃ 分子量: 501.55

IUPAC Name: (7R)-1-[(4-fluorophenyl)methyl]-N-[3-[(1S)-1-hydroxyethyl]phenyl]-7-methyl-5-(1H-pyrrole-2-carbonyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxamide

SMILES: CC1CN(CC2=C1N(N=C2C(=O)NC3=CC=CC(=C3)C(C)O)CC4=CC=C(C=C4)F)C(=O)C5=CC=CN5

InChIKey: IVFDDVKCCBDPQZ-MSOLQXFVSA-N

InChI: 1S/C28H28FN5O3/c1-17-14-33(28(37)24-7-4-12-30-24)16-23-25(27(36)31-22-6-3-5-20(13-22)18(2)35)32-34(26(17)23)15-19-8-10-21(29)11-9-19/h3-13,17-18,30,35H,14-16H2,1-2H3,(H,31,36)/t17-,18+/m1/s1
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Itraconazole-d3
- ≥99%
CAS号: 1217512-35-0

分子式: C₃₅H₃₅D₃Cl₂N₈O₄ 分子量: 708.65

IUPAC Name: 2-butan-2-yl-4-[4-[4-[4-[[2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]phenyl]-1,2,4-triazol-3-one

SMILES: CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)OCC5COC(O5)(CN6C=NC=N6)C7=C(C=C(C=C7)Cl)Cl

InChIKey: VHVPQPYKVGDNFY-UHFFFAOYSA-N

InChI: 1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14See more
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SCH 563705
CAS号: 473728-58-4 Compound CID : 10310100

分子式: C₂₃H₂₇N₃O₅ 分子量: 425.48

IUPAC Name: 3-[[3,4-dioxo-2-[[(1R)-1-(4-propan-2-ylfuran-2-yl)propyl]amino]cyclobuten-1-yl]amino]-2-hydroxy-N,N-dimethylbenzamide

SMILES: CCC(C1=CC(=CO1)C(C)C)NC2=C(C(=O)C2=O)NC3=CC=CC(=C3O)C(=O)N(C)C

InChIKey: DGKQQEVYYPCMNE-OAHLLOKOSA-N

InChI: 1S/C23H27N3O5/c1-6-15(17-10-13(11-31-17)12(2)3)24-18-19(22(29)21(18)28)25-16-9-7-8-14(20(16)27)23(30)26(4)5/h7-12,15,24-25,27H,6H2,1-5H3/t15-/m1/s1

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IDH1 Inhibitor 1
- ≥99%
CAS号: 2234285-81-3 Compound CID : 137333448

分子式: C₂₀H₁₈F₄N₆O₂ 分子量: 450.39

IUPAC Name: (4R)-4-(fluoromethyl)-3-[2-[[(1S)-1-[1-[4-(trifluoromethyl)phenyl]imidazol-4-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

SMILES: CC(C1=CN(C=N1)C2=CC=C(C=C2)C(F)(F)F)NC3=NC=CC(=N3)N4C(COC4=O)CF

InChIKey: ULTZLMKTFYRMFK-WFASDCNBSA-N

InChI: 1S/C20H18F4N6O2/c1-12(16-9-29(11-26-16)14-4-2-13(3-5-14)20(22,23)24)27-18-25-7-6-17(28-18)30-15(8-21)10-32-19(30)31/h2-7,9,11-12,15H,8,10H2,1H3,(H,25,27,28)/t12-,15-/m0/s1
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IDH889
- ≥98%
CAS号: 1429179-07-6 Compound CID : 71542286

分子式: C₂₃H₂₅FN₆O₂ 分子量: 436.48

IUPAC Name: (4S)-3-[2-[[(1S)-1-[5-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

SMILES: CC1=C(C=CC(=C1)C2=CN=C(N=C2)C(C)NC3=NC=CC(=N3)N4C(COC4=O)C(C)C)F

InChIKey: JDCYIMQAIKEACU-HNAYVOBHSA-N

InChI: 1S/C23H25FN6O2/c1-13(2)19-12-32-23(31)30(19)20-7-8-25-22(29-20)28-15(4)21-26-10-17(11-27-21)16-5-6-18(24)14(3)9-16/h5-11,13,15,19H,12H2,1-4H3,(H,25,28,29)/t15-,19+/m0/s1
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IDH889
- 10mM in DMSO
CAS号: 1429179-07-6 Compound CID : 71542286

分子式: C₂₃H₂₅FN₆O₂ 分子量: 436.48
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