U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C18H19FN2O6S
Molecular Weight 410.417
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CP-544439

SMILES

ONC(=O)C1(CCOCC1)NS(=O)(=O)C2=CC=C(OC3=CC=C(F)C=C3)C=C2

InChI

InChIKey=ZBRHTUMWSDPCMI-UHFFFAOYSA-N
InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)

HIDE SMILES / InChI
Molecular Formula C18H19FN2O6S
Molecular Weight 410.417
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 18:11:45 GMT 2025
Edited
by admin
on Mon Mar 31 18:11:45 GMT 2025
Record UNII
516DO4KL5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2H-PYRAN-4-CARBOXAMIDE, 4-(((4-(4-FLUOROPHENOXY)PHENYL)SULFONYL)AMINO)TETRAHYDRO-N-HYDROXY-
Preferred Name English
CP-544439
Common Name English
Code System Code Type Description
FDA UNII
516DO4KL5R
Created by admin on Mon Mar 31 18:11:45 GMT 2025 , Edited by admin on Mon Mar 31 18:11:45 GMT 2025
PRIMARY
EPA CompTox
DTXSID8047266
Created by admin on Mon Mar 31 18:11:45 GMT 2025 , Edited by admin on Mon Mar 31 18:11:45 GMT 2025
PRIMARY
CAS
230954-09-3
Created by admin on Mon Mar 31 18:11:45 GMT 2025 , Edited by admin on Mon Mar 31 18:11:45 GMT 2025
PRIMARY
PUBCHEM
9866250
Created by admin on Mon Mar 31 18:11:45 GMT 2025 , Edited by admin on Mon Mar 31 18:11:45 GMT 2025
PRIMARY
Related Record Type Details
COLLAGENASE 3
TARGET -> INHIBITOR
IC50
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A3
METABOLIC ENZYME -> SUBSTRATE
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A1
METABOLIC ENZYME -> SUBSTRATE
URIDINE DIPHOSPHATE GLUCURONOSYLTRANSFERASE 1A9
METABOLIC ENZYME -> SUBSTRATE
Related Record Type Details
Structure of 1-O-(((4-(((4-(4-FLUOROPHENOXY)PHENYL)SULFONYL)AMINO)TETRAHYDRO-2H-PYRAN-4-YL)CARBONYL)AMINO)-.BETA.-D-GLUCOPYRANURONIC ACID
METABOLITE -> PARENT
MAJOR
PLASMA; URINE
Structure of 2H-PYRAN-4-CARBOXAMIDE, 4-(((4-(4-FLUOROPHENOXY)PHENYL)SULFONYL)AMINO)TETRAHYDRO-
METABOLITE -> PARENT
PLASMA; URINE
Structure of 2H-PYRAN-4-CARBOXYLIC ACID, 4-(((4-(4-FLUOROPHENOXY)PHENYL)SULFONYL)AMINO)TETRAHYDRO-
METABOLITE -> PARENT
PLASMA; URINE
PLASMA PROTEIN FRACTION (HUMAN)
PARENT -> METABOLITE
BINDING
Related Record Type Details
Structure of CP-544439
ACTIVE MOIETY
Name Property Type Amount Referenced Substance Defining Parameters References
Tmax PHARMACOKINETIC ORAL ADMINISTRATION

FASTED STATE

HEALTHY MALE HUMAN VOLUNTEERS

SINGLE DOSE

Biological Half-life PHARMACOKINETIC SINGLE DOSE

ORAL ADMINISTRATION

HEALTHY MALE HUMAN VOLUNTEERS

FASTED STATE

NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966