455264-30-9
Product Name:
(S)-ethyl 3-(4-(2,7-naphthyridin-1-ylaMino)phenyl)-2-(2-broMo-3-oxospiro[3.5]non-1-en-1-ylaMino)propanoate
Formula:
C28H29BrN4O3
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COMPUTED DESCRIPTORS
| Molecular Weight | 549.5 g/mol |
|---|---|
| XLogP3 | 6.1 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 7 |
| Rotatable Bond Count | 9 |
| Exact Mass | 548.14230 g/mol |
| Monoisotopic Mass | 548.14230 g/mol |
| Topological Polar Surface Area | 93.2 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 835 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
CDP323 is an antagonist of the vascular cell adhesion molecule 1 (VCAM-1) binding to alpha4-integrins (other adhesion molecules), a process thought to be implicated in the pathophysiology of Multiple Sclerosis (MS). It is considered a small-molecule prodrug. CDP323 was originally developed by the British biopharmaceutical company Celltech plc. (now UCB S.A.) and is a putative new drug for oral treatment of multiple sclerosis.