K-777

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 Search

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

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/25666761 | https://adisinsight.springer.com/drugs/800016956 | https://medkoo.com/products/7386

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

Primary Target	Pharmacology	Condition	Potency
Cruzipain 4 Target ID: P25779 Gene ID: NA Gene Symbol: NA Target Organism: Trypanosoma cruzi Sources: https://adisinsight.springer.com/drugs/800016956	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:09:34 UTC 2023` Edited by `admin` on `Sat Dec 16 08:09:34 UTC 2023`
Record UNII	320A4L58IZ
Record Status	`Validated (UNII)`
Record Version

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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