TH 588 hydrochloride
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MedKoo CAT#: 471161

CAS#: 1640282-30-9 (HCl);

Description: TH588 HCl is a potent inhibitor of human 7,8-Dihydro-8-oxoguaninetriphosphatase MTH1 (NUDT1) with an IC50 value of 5 nM and good metabolic stability. Cancers have dysfunctional redox regulation resulting in reactive oxygen species production, damaging both DNA and free dNTPs. The MTH1 protein sanitizes oxidized dNTP pools to prevent incorporation of damaged bases during DNA replication. TH588 a first-in-class nudix hydrolase family inhibitor that potently and selectively engages and inhibits the MTH1 protein in cells. Protein co-crystal structures demonstrate that the inhibitor binds in the active site of MTH1.

Chemical Structure

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TH 588 hydrochloride
CAS# 1640282-30-9 (HCl);
Instruction

Theoretical Analysis

MedKoo Cat#: 471161
Name: TH 588 hydrochloride
CAS#: 1640282-30-9 (HCl);
Chemical Formula: C13H13Cl3N4
Exact Mass: 0.00
Molecular Weight: 331.610
Elemental Analysis: C, 47.08; H, 3.95; Cl, 32.07; N, 16.89

Price and Availability

Size Price Availability Quantity
5mg USD 265 2 Weeks
25mg USD 650 2 Weeks
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Related CAS #: 1640282-30-9 (HCl); 1609960-31-7

Synonym: TH588 HCl; TH-588 HCl; TH 588 HCl; TH 588 hydrochloride

IUPAC/Chemical Name: N4-cyclopropyl-6-(2,3-dichlorophenyl)pyrimidine-2,4-diamine hydrochloride

InChi Key: FBHMEHNWFXCSKE-UHFFFAOYSA-N

InChi Code: InChI=1S/C13H12Cl2N4.ClH/c14-9-3-1-2-8(12(9)15)10-6-11(17-7-4-5-7)19-13(16)18-10;/h1-3,6-7H,4-5H2,(H3,16,17,18,19);1H

SMILES Code: NC1=NC(C2=CC=CC(Cl)=C2Cl)=CC(NC3CC3)=N1.[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

Product Data:
Product Data
Instruction:
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Preparing Stock Solutions

The following data is based on the product molecular weight 331.610000000000000000000000000000 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

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