MedKoo Cat#: 466040 | Name: GSK3685032
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Description:

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

GSK3685032 is a first-in-class potent, non-nucleoside, reversible, DNMT1-selective inhibitor (IC50: 0.17 µM), exerting robust DNA hypomethylation and gene activation, potently inhibiting growth of cancer cell lines, displaying improved tolerability and greater DNA hypomethylation than decitabine (DAC), translating into superior antitumour activity in models of AML.

Chemical Structure

GSK3685032
GSK3685032
CAS#2170137-61-6 (free base)

Theoretical Analysis

MedKoo Cat#: 466040

Name: GSK3685032

CAS#: 2170137-61-6 (free base)

Chemical Formula: C22H24N6OS

Exact Mass: 420.1732

Molecular Weight: 420.54

Elemental Analysis: C, 62.83; H, 5.75; N, 19.98; O, 3.80; S, 7.62

Price and Availability

Size Price Availability Quantity
50mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
1g USD 4,250.00 2 Weeks
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Related CAS #
2170140-50-6 (HCl) 2170137-61-6 (free base)
Synonym
GSK3685032; GSK 3685032; GSK-3685032; NSC837081; NSC 837081; NSC-837081
IUPAC/Chemical Name
2-((6-(4-aminopiperidin-1-yl)-3,5-dicyano-4-ethylpyridin-2-yl)thio)-2-phenylacetamide
InChi Key
KNKHRZYILDZLRE-UHFFFAOYSA-N
InChi Code
InChI=1S/C22H24N6OS/c1-2-16-17(12-23)21(28-10-8-15(25)9-11-28)27-22(18(16)13-24)30-19(20(26)29)14-6-4-3-5-7-14/h3-7,15,19H,2,8-11,25H2,1H3,(H2,26,29)
SMILES Code
O=C(N)C(SC1=NC(N2CCC(N)CC2)=C(C#N)C(CC)=C1C#N)C3=CC=CC=C3
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 420.54 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: Pappalardi MB, Keenan K, Cockerill M, Kellner WA, Stowell A, Sherk C, Wong K, Pathuri S, Briand J, Steidel M, Chapman P, Groy A, Wiseman AK, McHugh CF, Campobasso N, Graves AP, Fairweather E, Werner T, Raoof A, Butlin RJ, Rueda L, Horton JR, Fosbenner DT, Zhang C, Handler JL, Muliaditan M, Mebrahtu M, Jaworski JP, McNulty DE, Burt C, Eberl HC, Taylor AN, Ho T, Merrihew S, Foley SW, Rutkowska A, Li M, Romeril SP, Goldberg K, Zhang X, Kershaw CS, Bantscheff M, Jurewicz AJ, Minthorn E, Grandi P, Patel M, Benowitz AB, Mohammad HP, Gilmartin AG, Prinjha RK, Ogilvie D, Carpenter C, Heerding D, Baylin SB, Jones PA, Cheng X, King BW, Luengo JI, Jordan AM, Waddell I, Kruger RG, McCabe MT. Discovery of a first-in-class reversible DNMT1-selective inhibitor with improved tolerability and efficacy in acute myeloid leukemia. Nat Cancer. 2021 Oct;2(10):1002-1017. Epub 2021 Sep 27. PMID: 34790902; PMCID: PMC8594913.