Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C32H38N4O4S.ClH |
| Molecular Weight | 611.194 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CN1CCN(CC1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCC3=CC=CC=C3)\C=C\S(=O)(=O)C4=CC=CC=C4
InChI
InChIKey=LQWNIKXMCBIRLZ-WJFVNNBYSA-N
InChI=1S/C32H38N4O4S.ClH/c1-35-20-22-36(23-21-35)32(38)34-30(25-27-13-7-3-8-14-27)31(37)33-28(18-17-26-11-5-2-6-12-26)19-24-41(39,40)29-15-9-4-10-16-29;/h2-16,19,24,28,30H,17-18,20-23,25H2,1H3,(H,33,37)(H,34,38);1H/b24-19+;/t28-,30-;/m0./s1
| Molecular Formula | C32H38N4O4S |
| Molecular Weight | 574.734 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | ClH |
| Molecular Weight | 36.461 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
APC-3316 is a vinyl sulfone cystein protease inhibitor. It is a potent, irreversible cysteine protease inhibitor and a potent and selective CCR4 antagonist. Its therapeutic targets are cruzain, a cysteine protease of the protozoan parasite Trypanosoma cruzi, and cathepsins B and L, which are associated with cancer progression. It was discontinued after preclinical trials in Chagas disease in USA.
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:19:41 GMT 2023
by
admin
on
Sat Dec 16 08:19:41 GMT 2023
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| Record UNII |
020D5NP7QT
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| Record Status |
Validated (UNII)
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| Record Version |
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502960-92-1
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72941829
Created by
admin on Sat Dec 16 08:19:41 GMT 2023 , Edited by admin on Sat Dec 16 08:19:41 GMT 2023
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