Name: RV-1729
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212713533
Cas No:1293915-42-0
常用名:RV-1729
别名:RV1729
IUPAC:6-(2-{[4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazolin-5-yl)-N,N-bis(2-methoxyethyl)hex-5-ynamide
IUPAC:6-(2-{[4-amino-3-(3-hydroxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-3-[(2-chlorophenyl)methyl]-4-oxo-3,4-dihydroquinazolin-5-yl)-N,N-bis(2-methoxyethyl)hex-5-ynamide
InChI key:UBLOHCIYTDRGJH-UHFFFAOYSA-N

分子式:C39H39ClN8O5
分子量:735.24
氢键供体数 (HBD):2
氢键受体数 (HBA):10
LogP:4.933129
SMILES:COCCN(CCOC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12
SMILES:COCCN(CCOC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc34)n(Cc3ccccc3Cl)c(=O)c12

RV-1729, a phosphatidylinositol-4,5-bisphosphate 3-kinase (PI3K) inhibitor, is used potentially for the treatment of asthma.

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