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Chemical structure of H3B-120

GC39648

H3B-120

Also known as 1-N-benzyl-1-N-methyl-4-N-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

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

ChemicalCAS2194903-42-7MW372.48FormulaC19H24N4O2S
CAS number
2194903-42-7
Molecular weight
372.48
Formula
C19H24N4O2S
Solubility
DMSO： 62·5 mg/mL (167·79 mM)
InChIKey
ZEVOZXRSCSSPAO-UHFFFAOYSA-N
Catalogue number
GC39648
Brand
GLPBIO
Computed properties PubChem CID 132355378 · XLogP 2.3 · TPSA 93.8 Ų · H-bond donors 1
XLogP
2.3
TPSA
93.8 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
26

SMILES CC1=CSC(=N1)NC(=O)C2CCN(CC2)C(=O)N(C)CC3=CC=CC=C3

Computed descriptors from PubChem (CID 132355378), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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