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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18FN3O5
Molecular Weight 399.3724
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BALCINRENONE

SMILES

CNC(=O)C[C@H]1COC2=C(C=CC(F)=C2)N1C(=O)C3=CC4=C(OCC(=O)N4)C=C3

InChI

InChIKey=MBKYLPOPYYLTNW-ZDUSSCGKSA-N
InChI=1S/C20H18FN3O5/c1-22-18(25)8-13-9-28-17-7-12(21)3-4-15(17)24(13)20(27)11-2-5-16-14(6-11)23-19(26)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,25)(H,23,26)/t13-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H18FN3O5
Molecular Weight 399.3724
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:07:55 GMT 2023
Edited
by admin
on Sat Dec 16 15:07:55 GMT 2023
Record UNII
6C9UKZ0CYE
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BALCINRENONE
INN  
Official Name English
AZD 9977 [WHO-DD]
Common Name English
balcinrenone [INN]
Common Name English
AZD-9977
Code English
2-((3S)-7-FLUORO-4-((3-OXO-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL)-3,4-DIHYDRO-2H-1,4-BENZOXAZIN-3-YL)-N-METHYLACETAMIDE
Systematic Name English
2H-1,4-BENZOXAZINE-3-ACETAMIDE, 4-((3,4-DIHYDRO-3-OXO-2H-1,4-BENZOXAZIN-6-YL)CARBONYL)-7-FLUORO-3,4-DIHYDRO-N-METHYL-, (3S)-
Systematic Name English
AZD9977
Code English
Code System Code Type Description
PUBCHEM
118599727
Created by admin on Sat Dec 16 15:07:56 GMT 2023 , Edited by admin on Sat Dec 16 15:07:56 GMT 2023
PRIMARY
CAS
1850385-64-6
Created by admin on Sat Dec 16 15:07:56 GMT 2023 , Edited by admin on Sat Dec 16 15:07:56 GMT 2023
PRIMARY
DRUG BANK
DB15418
Created by admin on Sat Dec 16 15:07:56 GMT 2023 , Edited by admin on Sat Dec 16 15:07:56 GMT 2023
PRIMARY
SMS_ID
300000026951
Created by admin on Sat Dec 16 15:07:56 GMT 2023 , Edited by admin on Sat Dec 16 15:07:56 GMT 2023
PRIMARY
INN
11980
Created by admin on Sat Dec 16 15:07:56 GMT 2023 , Edited by admin on Sat Dec 16 15:07:56 GMT 2023
PRIMARY
NCI_THESAURUS
C188521
Created by admin on Sat Dec 16 15:07:56 GMT 2023 , Edited by admin on Sat Dec 16 15:07:56 GMT 2023
PRIMARY
FDA UNII
6C9UKZ0CYE
Created by admin on Sat Dec 16 15:07:56 GMT 2023 , Edited by admin on Sat Dec 16 15:07:56 GMT 2023
PRIMARY
Related Record Type Details
TARGET->PARTIAL ANTAGONIST
AZD9977 is a partial MR antagonist due to its unique interaction pattern with MR, which results in a distinct recruitment of co-factor peptides when compared to eplerenone. AZD9977 dose dependently reduced albuminuria and improved kidney histopathology similar to eplerenone in db/db uni-nephrectomised mice and uni-nephrectomised rats. In acute testing, AZD9977 did not affect urinary Na+/K+ ratio
Related Record Type Details
ACTIVE MOIETY