Name: NaPi2b-IN-2
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT217583232
Cas No:2227445-31-8
常用名:NaPi2b-IN-2
IUPAC:3-({2-[({3-[(3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonyl}-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl}methyl)(pentan-3-yl)amino]ethyl}(methyl)carbamoyl)propanoic acid
IUPAC:3-({2-[({3-[(3-{1-[4-chloro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carbonyl}-6,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)carbamoyl]phenyl}methyl)(pentan-3-yl)amino]ethyl}(methyl)carbamoyl)propanoic acid
InChI key:IHCQIEZWVTZYDU-UHFFFAOYSA-N

分子式:C41H47ClF3N5O5S
分子量:814.36
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1sc2CC(C)(C)CCc2c1C(=O)c1cnn(c1)-c1ccc(Cl)c(c1)C(F)(F)F
SMILES:CCC(CC)N(CCN(C)C(=O)CCC(O)=O)Cc1cccc(c1)C(=O)Nc1sc2CC(C)(C)CCc2c1C(=O)c1cnn(c1)-c1ccc(Cl)c(c1)C(F)(F)F

NaPi2b-IN-2（化合物5）为钠依赖性转运蛋白2b（SLC34A2，NaPi2b）的高效抑制剂，对人NaPi2b的IC50为38 nM。该化合物适用于高磷血症研究。

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