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Details

Stereochemistry ACHIRAL
Molecular Formula C8H8N2O3S
Molecular Weight 212.226
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,1-Dioxo-5-phenyl-1,2,5-thiadiazolidin-3-one

SMILES

O=C1CN(C2=CC=CC=C2)S(=O)(=O)N1

InChI

InChIKey=LDCZCUKQWRZSDT-UHFFFAOYSA-N
InChI=1S/C8H8N2O3S/c11-8-6-10(14(12,13)9-8)7-4-2-1-3-5-7/h1-5H,6H2,(H,9,11)

HIDE SMILES / InChI

Molecular Formula C8H8N2O3S
Molecular Weight 212.226
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
1.6 mM [IC50]
PubMed

PubMed

TitleDatePubMed
Potent and specific inhibition of human leukocyte elastase, cathepsin G and proteinase 3 by sulfone derivatives employing the 1,2,5-thiadiazolidin-3-one 1,1 dioxide scaffold.
1998 Jun
Utilization of the 1,2,5-thiadiazolidin-3-one 1,1 dioxide scaffold in the design of potent inhibitors of serine proteases: SAR studies using carboxylates.
2000 May
Structure-based design of protein tyrosine phosphatase-1B inhibitors.
2005 May 16
A comparative QSAR on 1,2,5-thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinases.
2011 Nov
Substance Class Chemical
Created
by admin
on Sat Dec 16 15:32:38 GMT 2023
Edited
by admin
on Sat Dec 16 15:32:38 GMT 2023
Record UNII
L4SBH33TJR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,1-Dioxo-5-phenyl-1,2,5-thiadiazolidin-3-one
Systematic Name English
1,2,5-Thiadiazolidin-3-one, 5-phenyl-, 1,1-dioxide
Systematic Name English
1,1-BIS(OXIDANYLIDENE)-5-PHENYL-1,2,5-THIADIAZOLIDIN-3-ONE
Systematic Name English
Code System Code Type Description
FDA UNII
L4SBH33TJR
Created by admin on Sat Dec 16 15:32:38 GMT 2023 , Edited by admin on Sat Dec 16 15:32:38 GMT 2023
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CAS
612530-44-6
Created by admin on Sat Dec 16 15:32:38 GMT 2023 , Edited by admin on Sat Dec 16 15:32:38 GMT 2023
PRIMARY
PUBCHEM
4369452
Created by admin on Sat Dec 16 15:32:38 GMT 2023 , Edited by admin on Sat Dec 16 15:32:38 GMT 2023
PRIMARY