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MedKoo Cat#: 319847 | Name: Zaurategrast

Description:

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

Zaurategrast, also known as CDP323, is a VLA-4 antagonist and α4β1/α4β7 integrin antagonist ester prodrug.

Chemical Structure

Zaurategrast
Zaurategrast
CAS#455264-31-0

Theoretical Analysis

MedKoo Cat#: 319847

Name: Zaurategrast

CAS#: 455264-31-0

Chemical Formula: C26H25BrN4O3

Exact Mass: 520.1110

Molecular Weight: 521.42

Elemental Analysis: C, 59.89; H, 4.83; Br, 15.32; N, 10.75; O, 9.21

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 #
No Data
Synonym
CDP323; CDP-323; CDP 323; Zaurategrast
IUPAC/Chemical Name
(2S)-2-((2-Bromo-3-oxospiro(3.5)non-1-en-1-yl)amino)-3-(4-((2,7-naphthyridin-1-yl)amino)phenyl)propanoic acid
InChi Key
KYHVWHYLKOHLKA-FQEVSTJZSA-N
InChi Code
InChI=1S/C26H25BrN4O3/c27-21-22(26(23(21)32)10-2-1-3-11-26)31-20(25(33)34)14-16-4-6-18(7-5-16)30-24-19-15-28-12-8-17(19)9-13-29-24/h4-9,12-13,15,20,31H,1-3,10-11,14H2,(H,29,30)(H,33,34)/t20-/m0/s1
SMILES Code
O=C(O)[C@@H](NC1=C(Br)C(C12CCCCC2)=O)CC3=CC=C(NC4=NC=CC5=C4C=NC=C5)C=C3
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, not in water
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 521.42 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: Chanteux H, Staelens L, Mancel V, Gerin B, Boucaut D, Prakash C, Nicolas JM. Cross-Species Differences in the Preclinical Pharmacokinetics of CT7758, an α4β1/α4β7 Integrin Antagonist. Drug Metab Dispos. 2015 Sep;43(9):1381-91. doi: 10.1124/dmd.115.064436. Epub 2015 Jul 7. PubMed PMID: 26153275. 2: Chanteux H, Rosa M, Delatour C, Prakash C, Smith S, Nicolas JM. In vitro hydrolysis and transesterification of CDP323, an α4β1/α4β7 integrin antagonist ester prodrug. Drug Metab Dispos. 2014 Jan;42(1):153-61. doi: 10.1124/dmd.113.054049. Epub 2013 Oct 31. PubMed PMID: 24179032. 3: Wolf C, Sidhu J, Otoul C, Morris DL, Cnops J, Taubel J, Bennett B. Pharmacodynamic consequences of administration of VLA-4 antagonist CDP323 to multiple sclerosis subjects: a randomized, double-blind phase 1/2 study. PLoS One. 2013;8(3):e58438. doi: 10.1371/journal.pone.0058438. Epub 2013 Mar 5. PubMed PMID: 23472197; PubMed Central PMCID: PMC3589412.