MedKoo Cat#: 407446 | Name: Desmethyl-VS-5584
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

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.

Chemical Structure

Desmethyl-VS-5584
Desmethyl-VS-5584
CAS#1246535-95-4 (VS-5584 analog)

Theoretical Analysis

MedKoo Cat#: 407446

Name: Desmethyl-VS-5584

CAS#: 1246535-95-4 (VS-5584 analog)

Chemical Formula: C16H20N8O

Exact Mass: 340.1760

Molecular Weight: 340.39

Elemental Analysis: C, 56.46; H, 5.92; N, 32.92; O, 4.70

Price and Availability

Size Price Availability Quantity
200mg USD 1,250.00 2 weeks
500mg USD 2,450.00 2 weeks
1g USD 3,250.00 2 weeks
2g USD 4,850.00 2 weeks
5g USD 7,850.00 2 weeks
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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
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 340.39 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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.