MedKoo Cat#: 413553 | Name: Dersalazine Free Base

Description:

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

Dersalazine Free Base, also known as UR-12746, is a PAF antagonist and TNFα inhibitor potentially for the treatment of ulcerative colitis. UR-12746S showed anti-inflammatory effect in reactivated colitis in rats, as evidenced by a significant reduction in MPO activity.

Chemical Structure

 Dersalazine Free Base
Dersalazine Free Base
CAS#188913-58-8 (free acid)

Theoretical Analysis

MedKoo Cat#: 413553

Name: Dersalazine Free Base

CAS#: 188913-58-8 (free acid)

Chemical Formula: C35H32N6O4

Exact Mass: 600.2485

Molecular Weight: 600.68

Elemental Analysis: C, 69.98; H, 5.37; N, 13.99; O, 10.65

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 #
367249-56-7 (sodium) 188913-58-8 (free acid)
Synonym
Dersalazine Free Base; UR12746; UR 12746; UR-12746
IUPAC/Chemical Name
2-Hydroxy-5-((4-((1Z)-3-(4-((2-methyl-1H-imidazo(4,5-c)pyridin-1-yl)methyl)piperidin-1-yl)-3-oxo-1-phenylprop-1-enyl)phenyl)diazenyl)benzoic acid
InChi Key
AYEAMZDTWLXZIJ-RKOUKRECSA-N
InChi Code
InChI=1S/C35H32N6O4/c1-23-37-31-21-36-16-13-32(31)41(23)22-24-14-17-40(18-15-24)34(43)20-29(25-5-3-2-4-6-25)26-7-9-27(10-8-26)38-39-28-11-12-33(42)30(19-28)35(44)45/h2-13,16,19-21,24,42H,14-15,17-18,22H2,1H3,(H,44,45)/b29-20-,39-38+
SMILES Code
O=C(O)C1=CC(/N=N/C2=CC=C(/C(C3=CC=CC=C3)=C\C(N4CCC(CN5C(C)=NC6=C5C=CN=C6)CC4)=O)C=C2)=CC=C1O
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 600.68 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: Pontes C, Vives R, Torres F, Panés J. Safety and activity of dersalazine sodium in patients with mild-to-moderate active colitis: double-blind randomized proof of concept study. Inflamm Bowel Dis. 2014 Nov;20(11):2004-12. doi: 10.1097/MIB.0000000000000166. PMID: 25192498. 2: Camuesco D, Rodríguez-Cabezas ME, Garrido-Mesa N, Cueto-Sola M, Bailón E, Comalada M, Arribas B, Merlos M, Balsa D, Zarzuelo A, Janer G, Xaus J, Román J, Gálvez J. The intestinal anti-inflammatory effect of dersalazine sodium is related to a down-regulation in IL-17 production in experimental models of rodent colitis. Br J Pharmacol. 2012 Feb;165(3):729-40. doi: 10.1111/j.1476-5381.2011.01598.x. PMID: 21790535; PMCID: PMC3315044. 3: Román J, Planell N, Lozano JJ, Aceituno M, Esteller M, Pontes C, Balsa D, Merlos M, Panés J, Salas A. Evaluation of responsive gene expression as a sensitive and specific biomarker in patients with ulcerative colitis. Inflamm Bowel Dis. 2013 Feb;19(2):221-9. doi: 10.1002/ibd.23020. PMID: 22605655. 4: Gálvez J, Garrido M, Rodríguez-Cabezas ME, Ramis I, de Medina FS, Merlos M, Zarzuelo A. The intestinal anti-inflammatory activity of UR-12746S on reactivated experimental colitis is mediated through downregulation of cytokine production. Inflamm Bowel Dis. 2003 Nov;9(6):363-71. doi: 10.1097/00054725-200311000-00004. PMID: 14671485.