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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19NO5
Molecular Weight 317.3365
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of KW-4490

SMILES

COC1=C2OCCOC2=C(C=C1)[C@]3(CC[C@@H](CC3)C(O)=O)C#N

InChI

InChIKey=SBCKAEJLDHJBNZ-QQVUYCAZSA-N
InChI=1S/C17H19NO5/c1-21-13-3-2-12(14-15(13)23-9-8-22-14)17(10-18)6-4-11(5-7-17)16(19)20/h2-3,11H,4-9H2,1H3,(H,19,20)/t11-,17-

HIDE SMILES / InChI

Molecular Formula C17H19NO5
Molecular Weight 317.3365
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:27:42 GMT 2023
Edited
by admin
on Sat Dec 16 10:27:42 GMT 2023
Record UNII
YQ9CYR6ZJM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
KW-4490
Code English
CYCLOHEXANECARBOXYLIC ACID, 4-CYANO-4-(2,3-DIHYDRO-8-METHOXY-1,4-BENZODIOXIN-5-YL)-, CIS-
Systematic Name English
KF 66490
Code English
KW 4490
Code English
CIS-4-CYANO-4-(2,3-DIHYDRO-8-METHOXY-1,4-BENZODIOXIN-5-YL)CYCLOHEXANE-1-CARBOXYLIC ACID
Systematic Name English
4-CYANO-4-(5-METHOXY-2,3-DIHYDRO-1,4-BENZODIOXIN-8-YL)CYCLOHEXANECARBOXYLIC ACID
Systematic Name English
KF-66490
Common Name English
Code System Code Type Description
CAS
260561-48-6
Created by admin on Sat Dec 16 10:27:42 GMT 2023 , Edited by admin on Sat Dec 16 10:27:42 GMT 2023
PRIMARY
CAS
444659-42-1
Created by admin on Sat Dec 16 10:27:42 GMT 2023 , Edited by admin on Sat Dec 16 10:27:42 GMT 2023
SUPERSEDED ChemIDplus: Substance Name: KF 66490, RN: 260561-48-6; Other Registry Numbers: 444659-42-1
FDA UNII
YQ9CYR6ZJM
Created by admin on Sat Dec 16 10:27:42 GMT 2023 , Edited by admin on Sat Dec 16 10:27:42 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY
KF66490 is a newly developed PDE4 inhibitor that inhibits PDE4B (IC50 = 220 nM) and the production of tumor necrosis factor (TNF)-α by mouse peritoneal exudated cells stimulated with lipopolysaccharide (IC50 = 855 nM). The present results suggest that KF66490 has excellent potential as an oral medicine for the treatment of atopic dermatitis.
ACTIVE MOIETY
Other Registry Numbers: 444659-42-1, 1051982-38-7
ACTIVE MOIETY
A Practical Synthesis of the PDE4 Inhibitor, KW-4490