MDK-3017

MDK-3017 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.

Product information

CAS Number: 84783-01-7

Molecular Weight: 207.29

Formula: C11H13NOS

Chemical Name: (2-Hydroxy-phenyl)-pyrrolidin-1-yl-methanethione

Smiles: OC1=CC=CC=C1C(=S)N1CCCC1

InChiKey: QIKLOVZAPGSYNO-UHFFFAOYSA-N

InChi: InChI=1S/C11H13NOS/c13-10-6-2-1-5-9(10)11(14)12-7-3-4-8-12/h1-2,5-6,13H,3-4,7-8H2

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 100 mg/mL (482.42 mM; Need ultrasonic)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

References:

1. Sun Q, et al. Discovery of 小分子化合物，新品 that bind to K-Ras and inhibit Sos-mediated activation. Angew Chem Int Ed Engl. 2012 Jun 18;51(25):6140-6143 [2]. 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.

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