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

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

Product Name: 1H-Benzimidazole-6-carboxamide, 1-ethyl-2-(hydroxydiphenylmethyl)-N-[(2R)-2-hydroxypropyl]-
CAS No.: 1824637-41-3
Chemical Name: 1H-Benzimidazole-6-carboxamide, 1-ethyl-2-(hydroxydiphenylmethyl)-N-[(2R)-2-hydroxypropyl]-
Synonyms: VY-3-135, 10 mM in DMSO;orally active,VY3135,Inhibitor,inhibit,VY 3 135,breast cancer,stable ACSS2 inhibitor;3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-5-benzimidazolecarboxamide;1H-Benzimidazole-6-carboxamide, 1-ethyl-2-(hydroxydiphenylmethyl)-N-[(2R)-2-hydroxypropyl]-;(R)-1-Ethyl-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1H-benzo[d]imidazole-6-carboxamide
CBNumber: CB710673622
Molecular Formula: C26H27N3O3
Formula Weight: 429.51
MOL File: 1824637-41-3.mol

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

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)
pka: 12.08±0.29(Predicted)
form: Solid
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

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Hazard and Precautionary Statements (GHS)

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1H-Benzimidazole-6-carboxamide, 1-ethyl-2-(hydroxydiphenylmethyl)-N-[(2R)-2-hydroxypropyl]- Chemical Properties,Usage,Production

Uses

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 (ACSS2^high) tumor growth but is mostly ineffective at blocking WHIM12 (ACSS2^low) 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.

1H-Benzimidazole-6-carboxamide, 1-ethyl-2-(hydroxydiphenylmethyl)-N-[(2R)-2-hydroxypropyl]- Preparation Products And Raw materials

Raw materials

Preparation Products

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1824637-41-3, 1H-Benzimidazole-6-carboxamide, 1-ethyl-2-(hydroxydiphenylmethyl)-N-[(2R)-2-hydroxypropyl]-Related Search:

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

orally active,VY3135,Inhibitor,inhibit,VY 3 135,breast cancer,stable ACSS2 inhibitor

3-ethyl-2-[hydroxy(diphenyl)methyl]-N-[(2R)-2-hydroxypropyl]-5-benzimidazolecarboxamide

(R)-1-Ethyl-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1H-benzo[d]imidazole-6-carboxamide

VY-3-135, 10 mM in DMSO

1824637-41-3