VA4 TG2 inhibitor

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

MedKoo CAT#: 555488

CAS#: 2088001-23-2

Description: VA4 is a novel irreversible TG2 transamidase site-specific inhibitor.


Price and Availability

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VA4 is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 555488
Name: VA4 TG2 inhibitor
CAS#: 2088001-23-2
Chemical Formula: C33H41N5O6S
Exact Mass: 635.2778
Molecular Weight: 635.78
Elemental Analysis: C, 62.34; H, 6.50; N, 11.02; O, 15.10; S, 5.04


Synonym: VA4; VA-4; VA 4

IUPAC/Chemical Name: Benzyl (S)-(6-acrylamido-1-(4-((5-(dimethylamino)naphthalen-1-yl)sulfonyl)piperazin-1-yl)-1-oxohexan-2-yl)carbamate

InChi Key: QAFQMNLZLZDYJW-NDEPHWFRSA-N

InChi Code: InChI=1S/C33H41N5O6S/c1-4-31(39)34-19-9-8-16-28(35-33(41)44-24-25-12-6-5-7-13-25)32(40)37-20-22-38(23-21-37)45(42,43)30-18-11-14-26-27(30)15-10-17-29(26)36(2)3/h4-7,10-15,17-18,28H,1,8-9,16,19-24H2,2-3H3,(H,34,39)(H,35,41)/t28-/m0/s1

SMILES Code: O=C(OCC1=CC=CC=C1)N[C@@H](CCCCNC(C=C)=O)C(N2CCN(S(=O)(C3=C4C=CC=C(N(C)C)C4=CC=C3)=O)CC2)=O


Technical Data

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:
>3 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).

Harmonized System Code:
2934990300


Additional Information

Patent licensed for this product:
We licensed below patents related to this product for research use:
PCT Int. Appl. (2017), WO 2017179018 A1 20171019.


References

1. TG2 inhibitor compounds and uses. By Keillor, Jeffrey W.; Akbar, Abdullah; Eckert, Richard L.; Fisher, Matthew; Johnson, Gail V. W.
From PCT Int. Appl. (2017), WO 2017179018 A1 20171019.

2. Structure-​Activity Relationships of Potent, Targeted Covalent Inhibitors That Abolish Both the Transamidation and GTP Binding Activities of Human Tissue Transglutaminase. By Akbar, Abdullah; McNeil, Nicole M. R.; Albert, Marie R.; Ta, Viviane; Adhikary, Gautam; Bourgeois, Karine; Eckert, Richard L.; Keillor, Jeffrey W. From Journal of Medicinal Chemistry (2017), 60(18), 7910-7927.

3. 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. By Kerr, C.; Szmacinski, H.; Fisher, M. L.; Nance, B.; Lakowicz, J. R.; Akbar, A.; Keillor, J. W.; Lok Wong, T.; Godoy-Ruiz, R.; Toth, E. A.; et al. From Oncogene (2017), 36(21), 2981-2990.