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MedKoo CAT#: 407446
CAS#: 1246535-95-4
Description: Desmethyl-VS-5584 is a demethyl analogue of VS-5584, which is a novel and highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer.
MedKoo Cat#: 407446
Name: Desmethyl-VS-5584
CAS#: 1246535-95-4
Chemical Formula: C16H20N8O
Exact Mass: 340.176
Molecular Weight: 340.391
Elemental Analysis: C, 56.46; H, 5.92; N, 32.92; O, 4.70
Related CAS #: 1246535-95-4 1246560-33-7 (VS-5584)
Synonym: Desmethyl-VS-5584; Desmethyl-VS5584.
IUPAC/Chemical Name: 5-[9-(1-Methylethyl)-2-(4-morpholinyl)-9H-purin-6-yl]-2-pyrimidinamine
InChi Key: NGDDJJKHNGAOCH-UHFFFAOYSA-N
InChi Code: InChI=1S/C16H20N8O/c1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
SMILES Code: NC1=NC=C(C2=C3N=CN(C(C)C)C3=NC(N4CCOCC4)=N2)C=N1
1: Shao Z, Bao Q, Jiang F, Qian H, Fang Q, Hu X. VS-5584, a Novel PI3K-mTOR Dual Inhibitor, Inhibits Melanoma Cell Growth In Vitro and In Vivo. PLoS One. 2015 Jul 23;10(7):e0132655. doi: 10.1371/journal.pone.0132655. eCollection 2015. PubMed PMID: 26204252; PubMed Central PMCID: PMC4512677.
2: Kolev VN, Wright QG, Vidal CM, Ring JE, Shapiro IM, Ricono J, Weaver DT, Padval MV, Pachter JA, Xu Q. PI3K/mTOR dual inhibitor VS-5584 preferentially targets cancer stem cells. Cancer Res. 2015 Jan 15;75(2):446-55. doi: 10.1158/0008-5472.CAN-14-1223. Epub 2014 Nov 28. PubMed PMID: 25432176.
3: Poulsen A, Nagaraj H, Lee A, Blanchard S, Soh CK, Chen D, Wang H, Hart S, Goh KC, Dymock B, Williams M. Structure and ligand-based design of mTOR and PI3-kinase inhibitors leading to the clinical candidates VS-5584 (SB2343) and SB2602. J Chem Inf Model. 2014 Nov 24;54(11):3238-50. doi: 10.1021/ci500493m. Epub 2014 Oct 23. PubMed PMID: 25317974.
4: Hart S, Novotny-Diermayr V, Goh KC, Williams M, Tan YC, Ong LC, Cheong A, Ng BK, Amalini C, Madan B, Nagaraj H, Jayaraman R, Pasha KM, Ethirajulu K, Chng WJ, Mustafa N, Goh BC, Benes C, McDermott U, Garnett M, Dymock B, Wood JM. VS-5584, a novel and highly selective PI3K/mTOR kinase inhibitor for the treatment of cancer. Mol Cancer Ther. 2013 Feb;12(2):151-61. doi: 10.1158/1535-7163.MCT-12-0466. Epub 2012 Dec 27. PubMed PMID: 23270925; PubMed Central PMCID: PMC3588144.