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MedKoo CAT#: 407430
CAS#: 2060530-16-5
Description: MDK30165, also known as K-Ras(G12C) Inhibitor 6. It has no formal code name. For the convenience of communication, we name it as MDK30165. It has CAS#2060530-16-5, in which the last 5 digit is used for its code name. K-Ras(G12C) inhibitor 6 is an irreversible, allosteric inhibitor of the K-Ras(G12C) mutant that causes 100% modification of the protein when used at 10 µM for 24 hours in vitro.
MedKoo Cat#: 407430
Name: MDK30165
CAS#: 2060530-16-5
Chemical Formula: C17H22Cl2N2O3S
Exact Mass: 404.0728
Molecular Weight: 405.334
Elemental Analysis: C, 50.37; H, 5.47; Cl, 17.49; N, 6.91; O, 11.84; S, 7.91
Synonym: K-Ras(G12C) Inhibitor 6; MDK30165; MDK-30165; MDK 30165.
IUPAC/Chemical Name: N-(1-(2-(2,4-dichlorophenoxy)acetyl)piperidin-4-yl)-4-mercaptobutanamide
InChi Key: ZPXCEHMKUTXHRZ-UHFFFAOYSA-N
InChi Code: InChI=1S/C17H22Cl2N2O3S/c18-12-3-4-15(14(19)10-12)24-11-17(23)21-7-5-13(6-8-21)20-16(22)2-1-9-25/h3-4,10,13,25H,1-2,5-9,11H2,(H,20,22)
SMILES Code: ClC1=CC=C(OCC(N2CCC(NC(CCCS)=O)CC2)=O)C(Cl)=C1
1: Hunter JC, Gurbani D, Ficarro SB, Carrasco MA, Lim SM, Choi HG, Xie T, Marto
JA, Chen Z, Gray NS, Westover KD. In situ selectivity profiling and crystal
structure of SML-8-73-1, an active site inhibitor of oncogenic K-Ras G12C. Proc
Natl Acad Sci U S A. 2014 Jun 17;111(24):8895-900. doi: 10.1073/pnas.1404639111.
Epub 2014 Jun 2. PubMed PMID: 24889603; PubMed Central PMCID: PMC4066474.
2: Lim SM, Westover KD, Ficarro SB, Harrison RA, Choi HG, Pacold ME, Carrasco M,
Hunter J, Kim ND, Xie T, Sim T, Jänne PA, Meyerson M, Marto JA, Engen JR, Gray
NS. Therapeutic targeting of oncogenic K-Ras by a covalent catalytic site
inhibitor. Angew Chem Int Ed Engl. 2014 Jan 3;53(1):199-204. doi:
10.1002/anie.201307387. Epub 2013 Nov 20. PubMed PMID: 24259466; PubMed Central
PMCID: PMC3914205.
3: Sakamoto K, Kamada Y, Sameshima T, Yaguchi M, Niida A, Sasaki S, Miwa M,
Ohkubo S, Sakamoto JI, Kamaura M, Cho N, Tani A. K-Ras(G12D)-selective inhibitory
peptides generated by random peptide T7 phage display technology. Biochem Biophys
Res Commun. 2017 Mar 11;484(3):605-611. doi: 10.1016/j.bbrc.2017.01.147. Epub
2017 Jan 30. PubMed PMID: 28153726.