| Chemical Properties | Back Directory | [density ]
1.280±0.06 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
DMSO: 62.5 mg/mL (167.79 mM) | [form ]
Solid | [pka]
8.28±0.70(Predicted) | [color ]
Off-white to yellow | [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) | [InChIKey]
ZEVOZXRSCSSPAO-UHFFFAOYSA-N | [SMILES]
O=C(C1CCN(CC1)C(N(C)CC2=CC=CC=C2)=O)NC3=NC(C)=CS3 |
| Hazard Information | Back Directory | [Uses]
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[1]. | [Biological Activity]
H3B-120 is a competitive and selective allosteric inhibitor of carbamoyl phosphate synthetase 1 (CPS1) with IC50 of 1.5 μM and Ki of 1.4 μM. H3B-120 exhibits antitumor activity. | [in vitro]
H3B-120 has no inhibition of CPS2 activity of CAD (CPS2, aspartyl transcarbamylase, dihydroorotase).
It achieves inhibition by binding to an allosteric pocket situated between the integrating and ATP A domains.
Also 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.
| [target]
| Target | Value | CPS1
(Cell-free assay) | 1.4 μM(Ki) | CPS1
(Cell-free assay) | 1.5 μM | < /table>[References]
[1] Yao S, et al. Small Molecule Inhibition of CPS1 Activity through an Allosteric Pocket. Cell Chem Biol. 2020 Mar 19;27(3):259-268. DOI:10.1016/j.chembiol.2020.01.009 |
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| Company Name: |
BOC Sciences
|
| Tel: |
1-631-485-4226; 16314854226 |
| Website: |
https://www.bocsci.com |
| Company Name: |
InvivoChem
|
| Tel: |
13549236410 |
| Website: |
https://www.invivochem.cn/ |
|
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Tags:2194903-42-7
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