配体家族 - 小分子和化合物库

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PF 06465469,ITK抑制剂
- ≥98%
CAS号: 1407966-77-1 Compound CID : 71450146

分子式: C₃₀H₃₃N₇O₂ 分子量: 523.63

IUPAC Name: 3-[4-amino-1-[(3R)-1-prop-2-enoylpiperidin-3-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-(3-methyl-4-propan-2-ylphenyl)benzamide

SMILES: CC1=C(C=CC(=C1)NC(=O)C2=CC=CC(=C2)C3=NN(C4=NC=NC(=C34)N)C5CCCN(C5)C(=O)C=C)C(C)C

InChIKey: CGJVMKJGKFEHTL-HSZRJFAPSA-N

InChI: 1S/C30H33N7O2/c1-5-25(38)36-13-7-10-23(16-36)37-29-26(28(31)32-17-33-29)27(35-37)20-8-6-9-21(15-20)30(39)34-22-11-12-24(18(2)3)19(4)14-22/h5-6,8-9,11-12,14-15,17-18,23H,1,7,10,13,16H2,2-4H3,(H,34,39)(See more
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DD 03-171,BTK降解剂
- ≥98%(HPLC)
CAS号: 2366132-45-6

分子式: C₅₅H₆₂N₁₀O₈ 分子量: 991.16

SMILES: CN1C=C(N=C(NC2=CC=C(C=C2)C(=O)N2CCN(CCCCCCNC(=O)CNC3=C4C(=O)N(C5CCC(=O)NC5=O)C(=O)C4=CC=C3)CC2)C1=O)C1=C(C)C(NC(=O)C2=CC=C(C=C2)C(C)(C)C)=CC=C1

InChIKey: QBPVFCNYKUENHU-UHFFFAOYSA-N
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Ibrutinib (PCI-32765)
- 10mM in DMSO
CAS号: 936563-96-1

分子式: C₂₅H₂₄N₆O₂ 分子量: 440.5
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DD-03-171
Compound CID : 138059681

IUPAC Name: 4-tert-butyl-N-[3-[6-[4-[4-[6-[[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]amino]hexyl]piperazine-1-carbonyl]anilino]-4-methyl-5-oxopyrazin-2-yl]-2-methylphenyl]benzamide

SMILES: O=C(CNc1cccc2c1C(=O)N(C2=O)C1CCC(=O)NC1=O)NCCCCCCN1CCN(CC1)C(=O)c1ccc(cc1)Nc1nc(cn(c1=O)C)c1cccc(c1C)NC(=O)c1ccc(cc1)C(C)(C)C

InChIKey: QBPVFCNYKUENHU-UHFFFAOYSA-N

InChI: 1S/C55H62N10O8/c1-34-39(12-10-14-41(34)60-49(68)35-16-20-37(21-17-35)55(2,3)4)43-33-62(5)54(73)48(59-43)58-38-22-18-36(19-23-38)51(70)64-30-28-63(29-31-64)27-9-7-6-8-26-56-46(67)32-57-42-15-11-13-40-4See more
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GDC-0339
- 10mM in DMSO
CAS号: 1428569-85-0 Compound CID : 73603034

分子式: C₂₀H₂₂F₃N₇OS 分子量: 465.50
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GDC-0339
- ≥99%
CAS号: 1428569-85-0 Compound CID : 73603034

分子式: C₂₀H₂₂F₃N₇OS 分子量: 465.50

IUPAC Name: 5-amino-N-[5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methylpyrazol-4-yl]-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide

SMILES: CN1C(=C(C=N1)NC(=O)C2=C(SC(=N2)C3=C(C=CC=C3F)F)N)N4CCC(C(CC4)F)N

InChIKey: NHXVGMQFCYBLTL-ZWNOBZJWSA-N

InChI: 1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1
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