ChemicalBook--->CAS DataBase List--->1824637-41-3

1824637-41-3

1824637-41-3 Structure

1824637-41-3 Structure
IdentificationBack Directory
[Name]

1H-Benzimidazole-6-carboxamide, 1-ethyl-2-(hydroxydiphenylmethyl)-N-[(2R)-2-hydroxypropyl]-
[CAS]

1824637-41-3
[Synonyms]

1H-Benzimidazole-6-carboxamide, 1-ethyl-2-(hydroxydiphenylmethyl)-N-[(2R)-2-hydroxypropyl]-
[Molecular Formula]

C26H27N3O3
[MOL File]

1824637-41-3.mol
[Molecular Weight]

429.51
Chemical PropertiesBack Directory
[Boiling point ]

742.8±60.0 °C(Predicted)
[density ]

1.21±0.1 g/cm3(Predicted)
[storage temp. ]

4°C, protect from light
[solubility ]

DMSO : 100 mg/mL (232.82 mM; Need ultrasonic)
[form ]

Solid
[pka]

12.08±0.29(Predicted)
[color ]

White to light yellow
Hazard InformationBack Directory
[Biological Activity]

VY-3-135 is a potent, orally active, and stable ACSS2 inhibitor with an IC50 value of 44 nM. VY-3-135 is specific to ACSS2 among the AcCoA synthetase family of enzymes. VY-3-135 does not inhibit ACSS1 or ACSS3 enzymatic activity. VY-3-135 can be used for the research of breast cancer[1]. VY-3-135 (0.1, 1 μM; for 24 hours) blocks acetate dependent labeling of palmitate by 13C2-acetate in ACSS2low A7C11 and ACSS2high Brpkp110 cells[1]. VY-3-135 (100 mg/kg/day; PO; 30 days) represses MDA-MB-468 (ACSS2high) tumor growth but is mostly ineffective at blocking WHIM12 (ACSS2low) growth[1].
[References]

[1]. Katelyn D Miller, et al. Targeting ACSS2 with a Transition-State Mimetic Inhibits Triple-Negative Breast Cancer Growth. Cancer Res. 2021 Mar 1;81(5):1252-1264.
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