H3B-120 is a highly selective, competitive and allosteric carbamoyl phosphate synthetase 1 (CPS1) inhibitor with an IC50 of 1.5 μM and a Ki of 1.4 μM. H3B-120 has anti-cancer activity.

Product information

CAS Number: 2194903-42-7

Molecular Weight: 372.48

Formula: C19H24N4O2S

Chemical Name: N1-benzyl-N1-methyl-N4-(4-methylthiazol-2-yl)piperidine-1, 4-dicarboxamide

Smiles: CN(CC1C=CC=CC=1)C(=O)N1CCC(CC1)C(=O)NC1=NC(C)=CS1

InChiKey: ZEVOZXRSCSSPAO-UHFFFAOYSA-N

InChi: InChI=1S/C19H24N4O2S/c1-14-13-26-18(20-14)21-17(24)16-8-10-23(11-9-16)19(25)22(2)12-15-6-4-3-5-7-15/h3-7,13,16H,8-12H2,1-2H3,(H,20,21,24)

Technical Data

Appearance: Solid Power

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO : 62.5 mg/mL (167.79 mM; Need ultrasonic).

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined

HS Tariff Code: 382200

How to use

In Vitro:

H3B-120 has no inhibition of CPS2 activity of CAD (CPS2, aspartyl transcarbamylase, dihydroorotase). H3B-120 achieves inhibition by binding to an allosteric pocket situated between the integrating and ATP A domains. H3B-120 (25, 50, 75, 100 μM) inhibits urea production in a dose-dependent manner, although the cellular potency decreases significantly compared with enzymatic assays. The half-life of H3B-120 is only 40 min.

Products are for research use only. Not for human use.