Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C26H19Cl2N5O4 |
| Molecular Weight | 536.366 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C(=O)N(C(=O)[C@]12CN(C[C@H]2C3=CC=C(C=C3)C#N)C4=CC=C(C=N4)C(O)=O)C5=CC(Cl)=CC(Cl)=C5
InChI
InChIKey=LILGMDXLRPEBNH-HFZDXXHNSA-N
InChI=1S/C26H19Cl2N5O4/c1-31-25(37)33(20-9-18(27)8-19(28)10-20)24(36)26(31)14-32(22-7-6-17(12-30-22)23(34)35)13-21(26)16-4-2-15(11-29)3-5-16/h2-10,12,21H,13-14H2,1H3,(H,34,35)/t21-,26+/m0/s1
| Molecular Formula | C26H19Cl2N5O4 |
| Molecular Weight | 536.366 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
Funbound
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
5% EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/20405922/ |
unknown, unknown |
BMS-688521 serum | Homo sapiens population: UNKNOWN age: UNKNOWN sex: UNKNOWN food status: UNKNOWN |
PubMed
| Title | Date | PubMed |
|---|---|---|
| Small molecule antagonist of leukocyte function associated antigen-1 (LFA-1): structure-activity relationships leading to the identification of 6-((5S,9R)-9-(4-cyanophenyl)-3-(3,5-dichlorophenyl)-1-methyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonan-7-yl)nicotinic acid (BMS-688521). | 2010-05-13 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 20:36:57 GMT 2025
by
admin
on
Mon Mar 31 20:36:57 GMT 2025
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| Record UNII |
N4LDS4H73C
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| Record Status |
Validated (UNII)
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| Record Version |
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