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Safety Information

SML3007

Sigma-Aldrich

H3B-120

≥98% (HPLC)

Synonym(s):

N1-Methyl-N4-(4-methyl-2-thiazolyl)-N1-(phenylmethyl)-1,4-piperidinedicarboxamide

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About This Item

Empirical Formula (Hill Notation):
C19H24N4O2S
CAS Number:
2194903-42-7
Molecular Weight:
372.48
MDL number:
MFCD32693918
UNSPSC Code:
12352200
NACRES:
NA.77

Quality Level

100

Assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

SMILES string

O=C(C1CCN(CC1)C(N(C)CC2=CC=CC=C2)=O)NC3=NC(C)=CS3

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)

InChI key

ZEVOZXRSCSSPAO-UHFFFAOYSA-N

Biochem/physiol Actions

H3B-120 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

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000119378

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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

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