Zaurategrast

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

MedKoo CAT#: 319847

CAS#: 455264-31-0

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


Price and Availability

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Zaurategrast, purity > 98%, 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. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Shipping fee: from $30.00 (USA); from $45.00 (Canada); from $70.00 (international). Please send email to sales@medkoo.com to inquire quote.


Chemical Structure

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Theoretical Analysis

MedKoo Cat#: 319847
Name: Zaurategrast
CAS#: 455264-31-0
Chemical Formula: C26H25BrN4O3
Exact Mass: 520.111
Molecular Weight: 521.415
Elemental Analysis: C, 59.89; H, 4.83; Br, 15.32; N, 10.75; O, 9.21


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


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, 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).

Harmonized System Code:
293490


References

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.