MedKoo Cat#: 561184 | Name: VA5 TG2 inhibitor

Description:

WARNING: This product is for research use only, not for human or veterinary use.

VA5 inhibits both transamidase and GTP-binding activities. Transamidase activity is inhibited by direct inhibitor binding at the transamidase site, and GTP binding is blocked because inhibitor interaction at the transamidase site locks the protein in the extended/open conformation to disorganize/inactivate the GTP binding/GTPase site.

Chemical Structure

VA5 TG2 inhibitor
VA5 TG2 inhibitor
CAS#2088001-24-3

Theoretical Analysis

MedKoo Cat#: 561184

Name: VA5 TG2 inhibitor

CAS#: 2088001-24-3

Chemical Formula: C31H34N4O8

Exact Mass: 590.2377

Molecular Weight: 590.63

Elemental Analysis: C, 63.04; H, 5.80; N, 9.49; O, 21.67

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
VA5; VA-5; VA 5; VA5 TG2 inhibitor
IUPAC/Chemical Name
(S)-Benzyl (6-acrylamido-1-(4-(7-hydroxy-2-oxo-2H-chromene-3-carbonyl)piperazin-1-yl)-1-oxohexan-2-yl)carbamate
InChi Key
MWRKONWQKZWDTC-VWLOTQADSA-N
InChi Code
InChI=1S/C31H34N4O8/c1-2-27(37)32-13-7-6-10-25(33-31(41)42-20-21-8-4-3-5-9-21)29(39)35-16-14-34(15-17-35)28(38)24-18-22-11-12-23(36)19-26(22)43-30(24)40/h2-5,8-9,11-12,18-19,25,36H,1,6-7,10,13-17,20H2,(H,32,37)(H,33,41)/t25-/m0/s1
SMILES Code
O=C(OCC1=CC=CC=C1)N[C@@H](CCCCNC(C=C)=O)C(N2CCN(C(C(C3=O)=CC4=C(O3)C=C(O)C=C4)=O)CC2)=O
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
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
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
More Info
Patent licensed for this product: We licensed below patents related to this product for research use: PCT Int. Appl. (2017), WO 2017179018 A1 20171019.

Preparing Stock Solutions

The following data is based on the product molecular weight 590.63 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
1: Kerr C, Szmacinski H, Fisher ML, Nance B, Lakowicz JR, Akbar A, Keillor JW, Lok Wong T, Godoy-Ruiz R, Toth EA, Weber DJ, Eckert RL. Transamidase site-targeted agents alter the conformation of the transglutaminase cancer stem cell survival protein to reduce GTP binding activity and cancer stem cell survival. Oncogene. 2017 May 25;36(21):2981-2990. doi: 10.1038/onc.2016.452. Epub 2016 Dec 12. PubMed PMID: 27941875; PubMed Central PMCID: PMC5444990.