NC9 TG2 inhibitor

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MedKoo CAT#: 561182

CAS#: 1352090-52-8

Description: NC9 is a irreversible transglutaminase 2 (TG2) inhibitor. NC9 also inhibits Factor XIIIA (FXIIIA).


Price and Availability

Size Price Shipping out time Quantity
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Pricing updated 2020-08-03. Prices are subject to change without notice.

NC9 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#: 561182
Name: NC9 TG2 inhibitor
CAS#: 1352090-52-8
Chemical Formula: C35H47N5O8S
Exact Mass: 697.3145
Molecular Weight: 697.848
Elemental Analysis: C, 60.24; H, 6.79; N, 10.04; O, 18.34; S, 4.59


Synonym: NC9; NC 9; NC-9 TG2 inhibitor

IUPAC/Chemical Name: benzyl (S)-(1-((5-(dimethylamino)naphthalene)-1-sulfonamido)-10,17-dioxo-3,6-dioxa-9,16-diazanonadec-18-en-11-yl)carbamate

InChi Key: PEXQGECJXSNLDT-PMERELPUSA-N

InChi Code: InChI=1S/C35H47N5O8S/c1-4-33(41)36-19-9-8-16-30(39-35(43)48-26-27-12-6-5-7-13-27)34(42)37-20-22-46-24-25-47-23-21-38-49(44,45)32-18-11-14-28-29(32)15-10-17-31(28)40(2)3/h4-7,10-15,17-18,30,38H,1,8-9,16,19-26H2,2-3H3,(H,36,41)(H,37,42)(H,39,43)/t30-/m0/s1

SMILES Code: O=C(OCC1=CC=CC=C1)N[C@@H](CCCCNC(C=C)=O)C(NCCOCCOCCNS(=O)(C2=C3C=CC=C(N(C)C)C3=CC=C2)=O)=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:
>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


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.

4. Plasma membrane factor XIIIA transglutaminase activity regulates osteoblast matrix secretion and deposition by affecting microtubule dynamics. By Al-Jallad, Hadil F.; Myneni, Vamsee D.; Piercy-Kotb, Sarah A.; Chabot, Nicolas; Mulani, Amina; Keillor, Jeffrey W.; Kaartinen, Mari T.
From PLoS One (2011), 6(1), e15893.