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84783-01-7

84783-01-7 Structure

84783-01-7 Structure
IdentificationBack Directory
[Name]

K-Ras-IN-1
[CAS]

84783-01-7
[Synonyms]

Mdk-3017
K-Ras-IN-1
K-Ras inhibitor 1
2-(Pyrrolidine-1-carbothioyl)phenol
(2-Hydroxy-phenyl)-pyrrolidin-1-yl-methanethione
Methanethione, (2-hydroxyphenyl)-1-pyrrolidinyl-
[Molecular Formula]

C11H13NOS
[MDL Number]

MFCD02193415
[MOL File]

84783-01-7.mol
[Molecular Weight]

207.29
Chemical PropertiesBack Directory
[storage temp. ]

Sealed in dry,Store in freezer, under -20°C
[solubility ]

DMSO : ≥ 28 mg/mL (135.08 mM)
[form ]

Solid
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

K-Ras-IN-1 is the inhibitor for K-Ras by occupying the binding site of son of sevenless (Sos), preventing the interaction between Sos and K-Ras, inhibiting the Sos-catalyzed GDP to GTP exchange process. K-Ras-IN-1 is promising for research of pancreatic, colon and lung cancer[1][2].
[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. DOI:10.1021/ci400474u
[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):6140-3. DOI:10.1002/anie.201201358
Spectrum DetailBack Directory
[Spectrum Detail]

K-Ras-IN-1(84783-01-7)1HNMR
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