Zaurategrast ethyl ester

For research use only. Not for therapeutic Use.

  • CAT Number: I019574
  • CAS Number: 455264-30-9
  • Molecular Formula: C28H29BrN4O3
  • Molecular Weight: 549.46
  • Purity: ≥95%
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Zaurategrast ethyl ester (CDP323), the ethyl ester proagent of CT7758[1], is a α4β1/α4β7 integrin antagonist used for the treatment of inflammatory and autoimmune disorders[2].
Zaurategrast ethyl ester (CDP323), an ethyl ester prodrug of CT7758, shows some improvements in increasing mass transfer[1].


Catalog Number I019574
CAS Number 455264-30-9
Synonyms

ethyl (2S)-2-[(2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino]-3-[4-(2,7-naphthyridin-1-ylamino)phenyl]propanoate

Molecular Formula C28H29BrN4O3
Purity ≥95%
InChI InChI=1S/C28H29BrN4O3/c1-2-36-27(35)22(33-24-23(29)25(34)28(24)12-4-3-5-13-28)16-18-6-8-20(9-7-18)32-26-21-17-30-14-10-19(21)11-15-31-26/h6-11,14-15,17,22,33H,2-5,12-13,16H2,1H3,(H,31,32)/t22-/m0/s1
InChIKey QCYAXXZCQKMTMO-QFIPXVFZSA-N
SMILES CCOC(=O)C(CC1=CC=C(C=C1)NC2=NC=CC3=C2C=NC=C3)NC4=C(C(=O)C45CCCCC5)Br
Reference

[1]. Chanteux H, et al. Cross-Species Differences in the Preclinical Pharmacokinetics of CT7758, an α4β1/α4β7 Integrin Antagonist. Drug Metab Dispos. 2015 Sep;43(9):1381-91.
 [Content Brief]

[2]. Davenport RJ, et al. Alpha4-integrin antagonism–an effective approach for the treatment of inflammatory diseases? Drug Discov Today. 2007 Jul;12(13-14):569-76.
 [Content Brief]

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