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Details

Stereochemistry ACHIRAL
Molecular Formula C19H18F2N4O3.ClH
Molecular Weight 424.829
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of R-1487 HYDROCHLORIDE

SMILES

Cl.CN1C(=O)C(OC2=C(F)C=C(F)C=C2)=CC3=CN=C(NC4CCOCC4)N=C13

InChI

InChIKey=RQHSAIGGUWVOBG-UHFFFAOYSA-N
InChI=1S/C19H18F2N4O3.ClH/c1-25-17-11(10-22-19(24-17)23-13-4-6-27-7-5-13)8-16(18(25)26)28-15-3-2-12(20)9-14(15)21;/h2-3,8-10,13H,4-7H2,1H3,(H,22,23,24);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C19H18F2N4O3
Molecular Weight 388.368
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:03:57 UTC 2023
Edited
by admin
on Sat Dec 16 11:03:57 UTC 2023
Record UNII
E89N7YW9YQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
R-1487 HYDROCHLORIDE
Code English
R1487 HYDROCHLORIDE
Common Name English
PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE, 6-(2,4-DIFLUOROPHENOXY)-8-METHYL-2-((TETRAHYDRO-2H-PYRAN-4-YL)AMINO)-, MONOHYDROCHLORIDE
Systematic Name English
6-(2,4-DIFLUOROPHENOXY)-8-METHYL-2-(TETRAHYDROPYRAN-4-YLAMINO)PYRIDO(2,3-D)PYRIMIDIN-7-ONE HYDROCHLORIDE
Systematic Name English
PYRIDO(2,3-D)PYRIMIDIN-7(8H)-ONE, 6-(2,4-DIFLUOROPHENOXY)-8-METHYL-2-((TETRAHYDRO-2H-PYRAN-4-YL)AMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Classification Tree Code System Code
MANUFACTURER PRODUCT INFORMATION 6-(2,4-DIFLUOROPHENOXY)-8-METHYL-2-(TETRAHYDROPYRAN-4-YLAMINO)PYRIDO(2,3-D)PYRIMIDIN-7-ONE HYDROCHLORIDE
Created by admin on Sat Dec 16 11:03:57 UTC 2023 , Edited by admin on Sat Dec 16 11:03:57 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID60712354
Created by admin on Sat Dec 16 11:03:57 UTC 2023 , Edited by admin on Sat Dec 16 11:03:57 UTC 2023
PRIMARY
FDA UNII
E89N7YW9YQ
Created by admin on Sat Dec 16 11:03:57 UTC 2023 , Edited by admin on Sat Dec 16 11:03:57 UTC 2023
PRIMARY
PUBCHEM
54580957
Created by admin on Sat Dec 16 11:03:57 UTC 2023 , Edited by admin on Sat Dec 16 11:03:57 UTC 2023
PRIMARY
CAS
449808-64-4
Created by admin on Sat Dec 16 11:03:57 UTC 2023 , Edited by admin on Sat Dec 16 11:03:57 UTC 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY
R1487 is a p38 MAP kinase inhibitor with an IC50 of 10nM. It may have potential as a treatment for inflammatory diseases such as rheumatoid arthritis.