cas 942145-04-2, 3-[(3-Chloro-phenyl)-(2-methanesulfonyloxy-ethoxy)-methyl]-piperidine-1-carboxylic acid tert-butyl ester | Articles data ｜lookchem

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942145-04-2

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Discovery of VTP-27999, an alkyl amine renin inhibitor with potential for clinical utility
Structure guided optimization of a series of nonpeptidic alkyl amine renin inhibitors allowed the rational incorporation of additional polar functionality. Replacement of the cyclohexylmethyl group occupying the S1 pocket with a (R)-(tetrahydropyran-3-yl)
Jia, Lanqi,Simpson, Robert D.,Yuan, Jing,Xu, Zhenrong,Zhao, Wei,Cacatian, Salvacion,Tice, Colin M.,Guo, Joan,Ishchenko, Alexey,Singh, Suresh B.,Wu, Zhongren,McKeever, Brian M.,Bukhtiyarov, Yuri,Johnson, Judith A.,Doe, Christopher P.,Harrison, Richard K.,McGeehan, Gerard M.,Dillard, Lawrence W.,Baldwin, John J.,Claremon, David A.
p. 747 - 751
(2011/12/01)

Optimization of orally bioavailable alkyl amine renin inhibitors
Structure-guided drug design led to new alkylamine renin inhibitors with improved in vitro and in vivo potency. Lead compound 21a, has an IC50 of 0.83 nM for the inhibition of human renin in plasma (PRA). Oral administration of 21a at 10 mg/kg
Xu, Zhenrong,Cacatian, Salvacion,Yuan, Jing,Simpson, Robert D.,Jia, Lanqi,Zhao, Wei,Tice, Colin M.,Flaherty, Patrick T.,Guo, Joan,Ishchenko, Alexey,Singh, Suresh B.,Wu, Zhongren,McKeever, Brian M.,Scott, Boyd B.,Bukhtiyarov, Yuri,Berbaum, Jennifer,Mason, Jennifer,Panemangalore, Reshma,Cappiello, Maria Grazia,Bentley, Ross,Doe, Christopher P.,Harrison, Richard K.,McGeehan, Gerard M.,Dillard, Lawrence W.,Baldwin, John J.,Claremon, David A.
scheme or table
p. 694 - 699
(2010/06/16)

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Chemical Properties

Boiling Point: 556.8±35.0 °C(Predicted)
Density: 1.247±0.06 g/cm3(Predicted)
PKA: -1.90±0.40(Predicted)
PSA: 90.52000
LogP: 5.03970

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