| Identification | Back 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 Properties | Back 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 | [InChIKey]
KTPYOTKTDCLZHR-GOSISDBHSA-N | [SMILES]
C1(C(O)(C2=CC=CC=C2)C2=CC=CC=C2)N(CC)C2=CC(C(NC[C@H](O)C)=O)=CC=C2N=1 |
| Hazard Information | Back Directory | [Uses]
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]. | [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]. | [in vivo]
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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| Company Name: |
InvivoChem
|
| Tel: |
13549236410 |
| Website: |
https://www.invivochem.cn/ |
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