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About This Item
Empirical Formula (Hill Notation):
C19H23FN4O2S
CAS Number:
Molecular Weight:
390.47
UNSPSC Code:
12352200
NACRES:
NA.77
Quality Level
assay
≥98% (HPLC)
form
powder
color
white to beige
solubility
DMSO: 2 mg/mL, clear
storage temp.
2-8°C
SMILES string
O=C(NC1=NC(C)=CS1)C2CCN(C(N(CC3=CC=C(F)C=C3)C)=O)CC2
InChI
1S/C19H23FN4O2S/c1-13-12-27-18(21-13)22-17(25)15-7-9-24(10-8-15)19(26)23(2)11-14-3-5-16(20)6-4-14/h3-6,12,15H,7-11H2,1-2H3,(H,21,22,25)
InChI key
FYQIXROHNRZVMM-UHFFFAOYSA-N
Biochem/physiol Actions
H3B-193 is a cell penetrant, potent and selective allosteric inhibitor of the carbamoyl phosphate synthetase 1 (CPS1) that blocks ATP hydrolysis in the first step of carbamoyl phosphate synthesis
cell penetrant, potent and selective allosteric inhibitor of the carbamoyl phosphate synthetase 1 (CPS1)
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Shihua Yao et al.
Cell chemical biology, 27(3), 259-268 (2020-02-06)
Carbamoyl phosphate synthetase 1 (CPS1) catalyzes the first step in the ammonia-detoxifying urea cycle, converting ammonia to carbamoyl phosphate under physiologic conditions. In cancer, CPS1 overexpression supports pyrimidine synthesis to promote tumor growth in some cancer types, while in others