WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H555488
CAS#: 2088001-23-2
Description: VA4 is a novel irreversible TG2 transamidase site-specific inhibitor.
Hodoodo Cat#: H555488
Name: VA4 TG2 inhibitor
CAS#: 2088001-23-2
Chemical Formula: C33H41N5O6S
Exact Mass: 635.28
Molecular Weight: 635.780
Elemental Analysis: C, 62.34; H, 6.50; N, 11.02; O, 15.10; S, 5.04
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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
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).
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.
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 635.78 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.
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: | |
In vitro protocol: | |
In vivo protocol: |
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.