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MedKoo CAT#: 556081

CAS#: 1824637-41-3

Description: VY-3-135 is a potent ACSS2 inhibitor. VY-3-135 acts as a transition-state mimetic to block ACSS2 activity in vitro and in vivo. Pharmacologic inhibition of ACSS2 as a single agent impaired breast tumor growth. The aqueous solubility of VY-3-135 was 21.7 μM. The aqueous solubility of VY-3-135 was 21.7 μM. VY-3-135 is a potent low nanomolar inhibitor of ACSS2 in cancer cells in vitro. VY-3-135 potently inhibits ACSS2 dependent fatty acid metabolism but has no effect on gene expression in tumors.

Chemical Structure

CAS# 1824637-41-3

Theoretical Analysis

MedKoo Cat#: 556081
Name: VY-3-135
CAS#: 1824637-41-3
Chemical Formula: C26H27N3O3
Exact Mass: 429.2052
Molecular Weight: 429.52
Elemental Analysis: C, 72.71; H, 6.34; N, 9.78; O, 11.17

Price and Availability

Size Price Availability Quantity
1.0mg USD 90.0 Ready to ship
5.0mg USD 250.0 Ready to ship
10.0mg USD 450.0 Ready to ship
25.0mg USD 750.0 Ready to ship
50.0mg USD 1250.0 Ready to ship
100.0mg USD 2250.0 Ready to ship
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Synonym: VY-3-135; VY3-135; VY 3-135; VY-3135; VY3135; VY 3135;

IUPAC/Chemical Name: (R)-1-Ethyl-2-(hydroxydiphenylmethyl)-N-(2-hydroxypropyl)-1H-benzo[d]imidazole-6-carboxamide


InChi Code: InChI=1S/C26H27N3O3/c1-3-29-23-16-19(24(31)27-17-18(2)30)14-15-22(23)28-25(29)26(32,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-16,18,30,32H,3,17H2,1-2H3,(H,27,31)/t18-/m1/s1

SMILES Code: O=C(C1=CC=C2C(N(CC)C(C(C3=CC=CC=C3)(O)C4=CC=CC=C4)=N2)=C1)NC[C@H](O)C

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: To be determined

Shelf Life: >2 years if stored properly

Drug Formulation: To be determined

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Biological target: VY-3-135, a potent ACSS2 inhibitor with IC50 of 44 ± 3.85 nM, potently inhibits ACSS2 dependent fatty acid metabolism.
In vitro activity: TBD
In vivo activity: TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 429.52 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: TBD
In vitro protocol: TBD
In vivo protocol: TBD

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Miller KD, Pniewski K, Perry CE, Papp SB, Shaffer JD, Velasco-Silva JN, Casciano JC, Aramburu TM, Srikanth YVV, Cassel J, Skordalakes E, Kossenkov AV, Salvino JM, Schug ZT. Targeting ACSS2 with a Transition-State Mimetic Inhibits Triple-Negative Breast Cancer Growth. Cancer Res. 2021 Mar 1;81(5):1252-1264. doi: 10.1158/0008-5472.CAN-20-1847. Epub 2021 Jan 7. PMID: 33414169; PMCID: PMC8026699.

Additional Information

Acetyl-CoA is a vitally important and versatile metabolite used for many cellular processes including fatty acid synthesis, ATP production, and protein acetylation. Recent studies have shown that cancer cells upregulate acetyl-CoA synthetase 2 (ACSS2), an enzyme that converts acetate to acetyl-CoA, in response to stresses such as low nutrient availability and hypoxia. Stressed cancer cells use ACSS2 as a means to exploit acetate as an alternative nutrient source. Genetic depletion of ACSS2 in tumors inhibits the growth of a wide variety of cancers.