U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C32H38N4O4S
Molecular Weight 574.734
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of K-777

SMILES

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=RHJLQMVZXQKJKB-FPHSVDBKSA-N
InChI=1S/C32H38N4O4S/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)/b24-19+/t28-,30-/m0/s1

HIDE SMILES / InChI
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

Targets

Targets

Primary TargetPharmacologyConditionPotency
Target ID: P25779
Gene ID: NA
Gene Symbol: NA
Target Organism: Trypanosoma cruzi
Name Type Language
K-777
Code English
SLV-213
Code English
1-PIPERAZINECARBOXAMIDE, 4-METHYL-N-((1S)-2-OXO-2-(((1S)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)-2-PROPEN-1-YL)AMINO)-1-(PHENYLMETHYL)ETHYL)-
Systematic Name English
K-1177
Code English
K1177
Code English
1-PIPERAZINECARBOXAMIDE, 4-METHYL-N-((1S)-2-OXO-2-(((1S)-1-(2-PHENYLETHYL)-3-(PHENYLSULFONYL)-2-PROPENYL)AMINO)-1-(PHENYLMETHYL)ETHYL)-
Systematic Name English
SLV 213 [WHO-DD]
Common Name English
K777
Code English
CRA-3316
Code English
SLV213
Code English
APC-3316
Code English
K-11777
Code English
Classification Tree Code System Code
FDA ORPHAN DRUG 550316
Created by admin on Sat Dec 16 08:09:34 GMT 2023 , Edited by admin on Sat Dec 16 08:09:34 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID401101718
Created by admin on Sat Dec 16 08:09:34 GMT 2023 , Edited by admin on Sat Dec 16 08:09:34 GMT 2023
PRIMARY
CAS
502960-90-9
Created by admin on Sat Dec 16 08:09:34 GMT 2023 , Edited by admin on Sat Dec 16 08:09:34 GMT 2023
PRIMARY
CAS
233277-99-1
Created by admin on Sat Dec 16 08:09:34 GMT 2023 , Edited by admin on Sat Dec 16 08:09:34 GMT 2023
NON-SPECIFIC STEREOCHEMISTRY
PUBCHEM
9851116
Created by admin on Sat Dec 16 08:09:34 GMT 2023 , Edited by admin on Sat Dec 16 08:09:34 GMT 2023
PRIMARY
FDA UNII
320A4L58IZ
Created by admin on Sat Dec 16 08:09:34 GMT 2023 , Edited by admin on Sat Dec 16 08:09:34 GMT 2023
PRIMARY