Lapaquistat
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Lapaquistat
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CAS No:
189059-71-0
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Formula:
C31H39ClN2O8
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Chemical Name:
Lapaquistat
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Synonyms:
4-Piperidineacetic acid,1-[2-[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-;4-Piperidineacetic acid,1-[[7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-,(3R-trans)-;4-Piperidineacetic acid,1-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-;1-[2-[(3R,5S)-7-Chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-4-piperidineacetic acid;T 91485;Lapaquistat
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CAS No:
Description
Lapaquistat is under investigation in clinical trial NCT00256178 (Efficacy of Lapaquistat Acetate and Simvastatin in Subjects With Primary Dyslipidemia.).|Lapaquistat is an inhibitor of squalene synthase, an enzyme downstream of HMG-CoA reductase in the synthesis of cholesterol. Squalene synthase catalyzes the dimerization of farnesyl-pyrophosphate to squalene, the first step in the cholesterol biosynthetic pathway that is solely committed to the production of cholesterol. Development of this agent was haulted do to potential hepatic toxicity.
Characteristics
125.84000
4.30320
1.261g/cm3
135-140 °C @ Solvent: Diethyl ether, Hexane
824.024ºC at 760 mmHg
452.154ºC
1.565
0mmHg at 25°C
Drug Information
(1-(2-(1-(2-carboxyoxy-1,1-dimethylethyl)-7-chloro-5-(2,3-dimethoxyphenyl)-2-oxo-1,2,3,5-tetrahydrobenzo(e)(1,4)oxazepin-3-yl)acetyl)piperidin-4-yl)acetic acid
Computed Properties
Molecular Weight:603.1
XLogP3:3.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:10
Exact Mass:602.2394939
Monoisotopic Mass:602.2394939
Topological Polar Surface Area:126
Heavy Atom Count:42
Complexity:942
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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