Cas No.: | 84783-01-7 |
Chemical Name: | (2-Hydroxyphenyl)(Pyrrolidin-1-Yl)methanethione |
Synonyms: | K-Ras-IN-1;(2-Hydroxyphenyl)(Pyrrolidin-1-Yl)methanethione;(2-Hydroxy-phenyl)-pyrrolidin-1-yl-methanethione;o-hydroxythiobenzopyrrolidide;CBMicro_013683;MLS000974614;HMS2836K18;BCP19051;SMSF0013305;1-(2-Hydroxythiobenzoyl)pyrrolidine;STL436470;2-(1-pyrrolidinylcarbonothioyl)phenol;2-(1-Pyrrolidinylcarbothioyl)phenol #;CB05192;SMR000496877;1-[(2-Hydroxypheny |
SMILES: | S=C(C1=C([H])C([H])=C([H])C([H])=C1O[H])N1C([H])([H])C([H])([H])C([H])([H])C1([H])[H] |
Formula: | C11NOsH13 |
M.Wt: | 207.292 |
Purity: | >98% |
Sotrage: | 4°C for 1 year, -20°C for more than 2 years |
Description: | K-Ras-IN-1 is a K-Ras inhibitor, by binding to K-Ras in a hydrophobic pocket that is occupied by Tyr-71 in the apo-Ras crystal structure.(the detailed information refer to the reference) |
References: | [1]. Hocker HJ, et al. LIBSA--a method for the determination of ligand-binding preference to allosteric sites on receptor ensembles. J Chem Inf Model. 2014 Feb 24;54(2):530-538. [2]. Sun Q, et al. Discovery of small molecules that bind to K-Ras and inhibit Sos-mediated activation. Angew Chem Int Ed Engl. 2012 Jun 18;51(25):6140-6143 |