MedKoo Cat#: 563623 | Name: GSK1379725A
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Description:

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

GSK1379725A, also known as AU1, is the first selective inhibitor of BPTF over Brd4.

Chemical Structure

GSK1379725A
GSK1379725A
CAS#1802251-00-8

Theoretical Analysis

MedKoo Cat#: 563623

Name: GSK1379725A

CAS#: 1802251-00-8

Chemical Formula: C23H23FN6O3

Exact Mass: 450.1816

Molecular Weight: 450.47

Elemental Analysis: C, 61.32; H, 5.15; F, 4.22; N, 18.66; O, 10.65

Price and Availability

Size Price Availability Quantity
5mg USD 450.00 2 Weeks
10mg USD 750.00 2 Weeks
25mg USD 1,250.00 2 Weeks
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Related CAS #
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Synonym
AU1; AU-1; AU 1; GSK1379725A; GSK 1379725A; GSK-1379725A;
IUPAC/Chemical Name
3-(3-{1-[2-(4-Fluoro-phenylamino)-pyrimidin-4-yl]-pyrrolidin-3-yl}-ureido)-benzoic acid methyl ester
InChi Key
LLVPDBRSUHNJQQ-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H23FN6O3/c1-33-21(31)15-3-2-4-18(13-15)27-23(32)28-19-10-12-30(14-19)20-9-11-25-22(29-20)26-17-7-5-16(24)6-8-17/h2-9,11,13,19H,10,12,14H2,1H3,(H,25,26,29)(H2,27,28,32)
SMILES Code
O=C(OC)C1=CC=CC(NC(NC2CN(C3=NC(NC4=CC=C(F)C=C4)=NC=C3)CC2)=O)=C1
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
>3 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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 450.47 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: Tyutyunyk-Massey L, Sun Y, Dao N, Ngo H, Dammalapati M, Vaidyanathan A, Singh M, Haqqani S, Haueis J, Finnegan R, Deng X, Kirberger SE, Bos PD, Bandyopadhyay D, Pomerantz WCK, Pommier Y, Gewirtz DA, Landry JW. Autophagy-Dependent Sensitization of Triple-Negative Breast Cancer Models to Topoisomerase II Poisons by Inhibition of the Nucleosome Remodeling Factor. Mol Cancer Res. 2021 Aug;19(8):1338-1349. doi: 10.1158/1541-7786.MCR-20-0743. Epub 2021 Apr 2. PMID: 33811160; PMCID: PMC8667864. 2: Zhang C, Chen L, Liu Y, Huang J, Liu A, Xu Y, Shen Y, He H, Xu D. Downregulated METTL14 accumulates BPTF that reinforces super-enhancers and distal lung metastasis via glycolytic reprogramming in renal cell carcinoma. Theranostics. 2021 Jan 26;11(8):3676-3693. doi: 10.7150/thno.55424. PMID: 33664855; PMCID: PMC7914369. 3: Kirberger SE, Ycas PD, Johnson JA, Chen C, Ciccone MF, Woo RWL, Urick AK, Zahid H, Shi K, Aihara H, McAllister SD, Kashani-Sabet M, Shi J, Dickson A, Dos Santos CO, Pomerantz WCK. Selectivity, ligand deconstruction, and cellular activity analysis of a BPTF bromodomain inhibitor. Org Biomol Chem. 2019 Feb 13;17(7):2020-2027. doi: 10.1039/c8ob02599a. PMID: 30706071; PMCID: PMC6374164. 4: Urick AK, Hawk LM, Cassel MK, Mishra NK, Liu S, Adhikari N, Zhang W, dos Santos CO, Hall JL, Pomerantz WC. Dual Screening of BPTF and Brd4 Using Protein- Observed Fluorine NMR Uncovers New Bromodomain Probe Molecules. ACS Chem Biol. 2015 Oct 16;10(10):2246-56. doi: 10.1021/acschembio.5b00483. Epub 2015 Jul 28. PMID: 26158404; PMCID: PMC4858447.