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MedKoo Cat#: 465766 | Name: TH5427 HCl

Description:

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

TH5427 hydrochloride is a potent, selective NUDT5 inhibitor (IC50=29 nM). TH5427 hydrochloride shows an apparent 690-fold selectivity for NUDT5 over MTH1. TH5427 hydrochloride blocks progestin-dependent, PAR-derived nuclear ATP synthesis and subsequent chromatin remodeling, gene regulation and proliferation in breast cancer cells.

Chemical Structure

TH5427 HCl
TH5427 HCl
CAS#2253744-57-7 (HCl)

Theoretical Analysis

MedKoo Cat#: 465766

Name: TH5427 HCl

CAS#: 2253744-57-7 (HCl)

Chemical Formula: C20H23Cl3N8O3

Exact Mass: 528.0959

Molecular Weight: 529.81

Elemental Analysis: C, 45.34; H, 4.38; Cl, 20.07; N, 21.15; O, 9.06

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
2253744-57-7 (HCl) 2253744-56-6 (free base)
Synonym
TH5427 HCl; TH 5427 HCl; TH-5427 HCl; TH5427 hydrochloride; TH 5427 hydrochloride; TH-5427 hydrochloride;
IUPAC/Chemical Name
7-((5-(3,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl)methyl)-1,3-dimethyl-8-(piperazin-1-yl)-3,4,5,7-tetrahydro-1H-purine-2,6-dione hydrochloride
InChi Key
HZLTVHODYXIEJM-UHFFFAOYSA-N
InChi Code
InChI=1S/C20H22Cl2N8O3.ClH/c1-27-16-15(18(31)28(2)20(27)32)30(19(24-16)29-7-5-23-6-8-29)10-14-25-26-17(33-14)11-3-4-12(21)13(22)9-11;/h3-4,9,15-16,23H,5-8,10H2,1-2H3;1H
SMILES Code
O=C(N1C)C2N(CC3=NN=C(C4=CC=C(Cl)C(Cl)=C4)O3)C(N5CCNCC5)=NC2N(C)C1=O.[H]Cl
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 529.81 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: Page BDG, Valerie NCK, Wright RHG, Wallner O, Isaksson R, Carter M, Rudd SG, Loseva O, Jemth AS, Almlöf I, Font-Mateu J, Llona-Minguez S, Baranczewski P, Jeppsson F, Homan E, Almqvist H, Axelsson H, Regmi S, Gustavsson AL, Lundbäck T, Scobie M, Strömberg K, Stenmark P, Beato M, Helleday T. Targeted NUDT5 inhibitors block hormone signaling in breast cancer cells. Nat Commun. 2018 Jan 17;9(1):250. doi: 10.1038/s41467-017-02293-7. Erratum in: Nat Commun. 2019 Nov 1;10(1):5050. PMID: 29343827; PMCID: PMC5772648.