Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C38H46Cl2N6O8S |
| Molecular Weight | 817.778 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)C[C@H](N(C)C(=O)CC1=CC=C(NC(=O)NC2=CC=CC=C2C)C=C1)C(=O)NCC[C@H](NC(=O)[C@@H]3CCCN3S(=O)(=O)C4=CC(Cl)=CC(Cl)=C4)C(O)=O
InChI
InChIKey=MNQBPRHHZPXCKZ-ZDCRTTOTSA-N
InChI=1S/C38H46Cl2N6O8S/c1-23(2)18-33(45(4)34(47)19-25-11-13-28(14-12-25)42-38(52)44-30-9-6-5-8-24(30)3)35(48)41-16-15-31(37(50)51)43-36(49)32-10-7-17-46(32)55(53,54)29-21-26(39)20-27(40)22-29/h5-6,8-9,11-14,20-23,31-33H,7,10,15-19H2,1-4H3,(H,41,48)(H,43,49)(H,50,51)(H2,42,44,52)/t31-,32-,33-/m0/s1
| Molecular Formula | C38H46Cl2N6O8S |
| Molecular Weight | 817.778 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
DescriptionCurator's Comment: Description was created based on several sources, including http://adisinsight.springer.com/drugs/800019793
Curator's Comment: Description was created based on several sources, including http://adisinsight.springer.com/drugs/800019793
BIO-5192 is a highly selective and potent (KD of <10 pM) inhibitor of integrin alpha 4 beta 1. The high affinity
for integrin alpha 4 beta 1 results from an extremely slow dissociation rate of
the inhibitor from the integrin/inhibitor complex, with a dissociation
half-life of >12 h for both the unactivated and
activated integrin. Preclinical trials in multiple sclerosis in USA were underway, but no recent development of BIO-5192 or its pegylated form has been reported; it appears that development has been discontinued.
Originator
Approval Year
PubMed
| Title | Date | PubMed |
|---|---|---|
| BIO5192, a small molecule inhibitor of VLA-4, mobilizes hematopoietic stem and progenitor cells. | 2009-08-13 |
|
| An integrin inhibiting molecule decreases oxidative damage and improves neurological function after spinal cord injury. | 2008-12 |
|
| An assessment of the mechanistic differences between two integrin alpha 4 beta 1 inhibitors, the monoclonal antibody TA-2 and the small molecule BIO5192, in rat experimental autoimmune encephalomyelitis. | 2003-06 |
Patents
Sample Use Guides
Rats: rats were treated intravenously with BIO-5192 (10 mg/kg)
Route of Administration:
Intravenous
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:40:47 GMT 2025
by
admin
on
Mon Mar 31 22:40:47 GMT 2025
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| Record UNII |
55W0N209OS
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| Record Status |
Validated (UNII)
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