Name: Deltasonamide 2 (TFA)
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT212667045
Cas No:2235358-74-2
常用名:Deltasonamide 2 (TFA)
IUPAC:N1-[(4-chlorophenyl)methyl]-N1-cyclopentyl-N4-{[2-(methylamino)pyrimidin-4-yl]methyl}-N4-[(1r,4r)-4-aminocyclohexyl]benzene-1,4-disulfonamide; trifluoroacetic acid
IUPAC:N1-[(4-chlorophenyl)methyl]-N1-cyclopentyl-N4-{[2-(methylamino)pyrimidin-4-yl]methyl}-N4-[(1r,4r)-4-aminocyclohexyl]benzene-1,4-disulfonamide; trifluoroacetic acid
InChI key:CPZRTOXQVYGULV-QCWFOUSZSA-N

分子式:C32H40ClF3N6O6S2
分子量:761.27
氢键供体数 (HBD):2
氢键受体数 (HBA):8
LogP:4.1029005
SMILES:OC(=O)C(F)(F)F.CNc1nccc(CN([C@H]2CC[C@H](N)CC2)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)C2CCCC2)n1 |wU:16.14,wD:19.18,(15.45,-1.65,;14.12,-.88,;12.79,-1.65,;14.12,.66,;14.12,2.2,;15.66,.66,;12.58,.66,;4.84,9.07,;6.17,8.3,;6.17,6.76,;7.51,5.99,;7.51,4.45,;6.17,3.68,;4.84,4.45,;3.5,3.68,;3.5,2.14,;4.84,1.37,;6.17,2.14,;7.51,1.37,;7.51,-.17,;8.84,-.94,;6.17,-.94,;4.84,-.17,;2.17,1.37,;1.4,2.7,;2.94,.04,;.84,.6,;.84,-.94,;-.5,-1.71,;-1.83,-.94,;-1.83,.6,;-.5,1.37,;-3.16,-1.71,;-3.93,-.38,;-2.39,-3.04,;-4.5,-2.48,;-5.83,-1.71,;-7.16,-2.48,;-7.16,-4.02,;-8.5,-4.79,;-9.83,-4.02,;-11.17,-4.79,;-9.83,-2.48,;-8.5,-1.71,;-4.5,-4.02,;-3.25,-4.93,;-3.73,-6.39,;-5.27,-6.39,;-5.74,-4.93,;4.84,5.99,)|
SMILES:OC(=O)C(F)(F)F.CNc1nccc(CN([C@H]2CC[C@H](N)CC2)S(=O)(=O)c2ccc(cc2)S(=O)(=O)N(Cc2ccc(Cl)cc2)C2CCCC2)n1 |wU:16.14,wD:19.18,(15.45,-1.65,;14.12,-.88,;12.79,-1.65,;14.12,.66,;14.12,2.2,;15.66,.66,;12.58,.66,;4.84,9.07,;6.17,8.3,;6.17,6.76,;7.51,5.99,;7.51,4.45,;6.17,3.68,;4.84,4.45,;3.5,3.68,;3.5,2.14,;4.84,1.37,;6.17,2.14,;7.51,1.37,;7.51,-.17,;8.84,-.94,;6.17,-.94,;4.84,-.17,;2.17,1.37,;1.4,2.7,;2.94,.04,;.84,.6,;.84,-.94,;-.5,-1.71,;-1.83,-.94,;-1.83,.6,;-.5,1.37,;-3.16,-1.71,;-3.93,-.38,;-2.39,-3.04,;-4.5,-2.48,;-5.83,-1.71,;-7.16,-2.48,;-7.16,-4.02,;-8.5,-4.79,;-9.83,-4.02,;-11.17,-4.79,;-9.83,-2.48,;-8.5,-1.71,;-4.5,-4.02,;-3.25,-4.93,;-3.73,-6.39,;-5.27,-6.39,;-5.74,-4.93,;4.84,5.99,)|

Deltasonamide 2 TFA is competitive, high affinity PDEδ inhibitor with a Kd of ~385 pM.

市场产品/服务共显示1个结果

供应商
TargetMolSC
规格
货期
6-8周
纯度
-
¥ 10,500.00
1

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