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

Details

Stereochemistry ACHIRAL
Molecular Formula C5H3N5O2S3
Molecular Weight 261.305
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Halicin

SMILES

NC1=NN=C(SC2=NC=C(S2)[N+]([O-])=O)S1

InChI

InChIKey=NQQBNZBOOHHVQP-UHFFFAOYSA-N
InChI=1S/C5H3N5O2S3/c6-3-8-9-5(14-3)15-4-7-1-2(13-4)10(11)12/h1H,(H2,6,8)

HIDE SMILES / InChI

Molecular Formula C5H3N5O2S3
Molecular Weight 261.305
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
0.7 µM [IC50]
PubMed

PubMed

TitleDatePubMed
Design, synthesis, and structure-activity relationship of substrate competitive, selective, and in vivo active triazole and thiadiazole inhibitors of the c-Jun N-terminal kinase.
2009 Apr 9
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:04:05 GMT 2023
Edited
by admin
on Sat Dec 16 17:04:05 GMT 2023
Record UNII
Y4KQC5P9B2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Halicin
Common Name English
SU-3327
Code English
5-[(5-Nitro-2-thiazolyl)thio]-1,3,4-thiadiazol-2-amine
Systematic Name English
1,3,4-Thiadiazol-2-amine, 5-[(5-nitro-2-thiazolyl)thio]-
Systematic Name English
SU3327
Code English
Code System Code Type Description
EPA CompTox
DTXSID70474254
Created by admin on Sat Dec 16 17:04:05 GMT 2023 , Edited by admin on Sat Dec 16 17:04:05 GMT 2023
PRIMARY
CAS
40045-50-9
Created by admin on Sat Dec 16 17:04:05 GMT 2023 , Edited by admin on Sat Dec 16 17:04:05 GMT 2023
PRIMARY
FDA UNII
Y4KQC5P9B2
Created by admin on Sat Dec 16 17:04:05 GMT 2023 , Edited by admin on Sat Dec 16 17:04:05 GMT 2023
PRIMARY
PUBCHEM
11837140
Created by admin on Sat Dec 16 17:04:05 GMT 2023 , Edited by admin on Sat Dec 16 17:04:05 GMT 2023
PRIMARY
WIKIPEDIA
Halicin
Created by admin on Sat Dec 16 17:04:05 GMT 2023 , Edited by admin on Sat Dec 16 17:04:05 GMT 2023
PRIMARY