Name: RSM-932A
Rating: 5 (10 reviews)

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HIT ID:HIT213890923
Cas No:850807-63-5
常用名:RSM-932A
别名:TCD-717
IUPAC:4-{[(4-chlorophenyl)methyl]amino}-1-({4'-[(4-{[(4-chlorophenyl)methyl]amino}quinolin-1-ium-1-yl)methyl]-[1,1'-biphenyl]-4-yl}methyl)quinolin-1-ium {[4-({[1-({4'-[(4-{[(4-chlorophenyl)methyl]amino}quinolin-1-ium-1-yl)methyl]-[1,1'-biphenyl]-4-yl}methyl)quinolin-1-ium-4-yl]amino}methyl)phenyl]-lambda2-chloranyl}-lambda3-bromanidyl tribromide
IUPAC:4-{[(4-chlorophenyl)methyl]amino}-1-({4'-[(4-{[(4-chlorophenyl)methyl]amino}quinolin-1-ium-1-yl)methyl]-[1,1'-biphenyl]-4-yl}methyl)quinolin-1-ium {[4-({[1-({4'-[(4-{[(4-chlorophenyl)methyl]amino}quinolin-1-ium-1-yl)methyl]-[1,1'-biphenyl]-4-yl}methyl)quinolin-1-ium-4-yl]amino}methyl)phenyl]-lambda2-chloranyl}-lambda3-bromanidyl tribromide
InChI key:RHCDUPDWWXSCBT-UHFFFAOYSA-O

分子式:C92H76Br4Cl4N8
分子量:1755.09
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[Br-].[Br-].[Br-].Clc1ccc(-[#6]-[#7]-c2cc[n+](-[#6]-c3ccc(cc3)-c3ccc(-[#6]-[n+]4ccc(-[#7]-[#6]-c5ccc(Cl)cc5)c5ccccc45)cc3)c3ccccc23)cc1.Clc1ccc(-[#6]-[#7]-c2cc[n+](-[#6]-c3ccc(cc3)-c3ccc(-[#6]-[n+]4ccc(-[#7]-[#6]-c5ccc([Cl][Br-])cc5)c5ccccc45)cc3)c3ccccc23)cc1 |^1:89|
SMILES:[Br-].[Br-].[Br-].Clc1ccc(-[#6]-[#7]-c2cc[n+](-[#6]-c3ccc(cc3)-c3ccc(-[#6]-[n+]4ccc(-[#7]-[#6]-c5ccc(Cl)cc5)c5ccccc45)cc3)c3ccccc23)cc1.Clc1ccc(-[#6]-[#7]-c2cc[n+](-[#6]-c3ccc(cc3)-c3ccc(-[#6]-[n+]4ccc(-[#7]-[#6]-c5ccc([Cl][Br-])cc5)c5ccccc45)cc3)c3ccccc23)cc1 |^1:89|

RSM-932A (TCD-717) 是一种特异性 ChoKα 抑制剂，对人重组 ChoKα 和 ChoKβ 酶的 IC50 分别为 1 和 33 μM。RSM-932A 具有有效的体内外抗肿瘤活性，并且毒性较低。

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