AA9 | CAS#2134114-20-6

MedKoo Cat#: 555487 | Name: AA9 TG2 inhibitor

Description:

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

AA9 is a novel transglutaminase (TG2) inhibitor.

Chemical Structure

AA9 TG2 inhibitor

CAS#2134114-20-6

Theoretical Analysis

MedKoo Cat#: 555487

Name: AA9 TG2 inhibitor

CAS#: 2134114-20-6

Chemical Formula: C32H36N4O5

Exact Mass: 556.2686

Molecular Weight: 556.66

Elemental Analysis: C, 69.05; H, 6.52; N, 10.06; O, 14.37

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.

Bulk Inquiry

Related CAS #

No Data

Synonym

AA9; AA-9; AA 9;

IUPAC/Chemical Name

Benzyl (S)-(1-(4-(1-naphthoyl)piperazin-1-yl)-6-acrylamido-1-oxohexan-2-yl)carbamate

InChi Key

IQDAHYYYLIDXSI-NDEPHWFRSA-N

InChi Code

InChI=1S/C32H36N4O5/c1-2-29(37)33-18-9-8-17-28(34-32(40)41-23-24-11-4-3-5-12-24)31(39)36-21-19-35(20-22-36)30(38)27-16-10-14-25-13-6-7-15-26(25)27/h2-7,10-16,28H,1,8-9,17-23H2,(H,33,37)(H,34,40)/t28-/m0/s1

SMILES Code

O=C(OCC1=CC=CC=C1)N[C@@H](CCCCNC(C=C)=O)C(N2CCN(C(C3=C4C=CC=CC4=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.

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 556.66 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

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.