Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H29N5O3 |
Molecular Weight | 399.4867 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
COCCN(CCOC)C1=NC(C)=NC2=C(C(C)=NN12)C3=CC=C(OC)C=C3C
InChI
InChIKey=DKAPUZDMFUBEBM-UHFFFAOYSA-N
InChI=1S/C21H29N5O3/c1-14-13-17(29-6)7-8-18(14)19-15(2)24-26-20(19)22-16(3)23-21(26)25(9-11-27-4)10-12-28-5/h7-8,13H,9-12H2,1-6H3
Molecular Formula | C21H29N5O3 |
Molecular Weight | 399.4867 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
PubMed
Title | Date | PubMed |
---|---|---|
Degradation pathways of a corticotropin-releasing factor antagonist in solution and solid states. | 2009 Aug |
|
Discovery of N-(1-ethylpropyl)-[3-methoxy-5-(2-methoxy-4-trifluoromethoxyphenyl)-6-methyl-pyrazin-2-yl]amine 59 (NGD 98-2): an orally active corticotropin releasing factor-1 (CRF-1) receptor antagonist. | 2011 Jun 23 |
Patents
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:37:13 GMT 2023
by
admin
on
Sat Dec 16 11:37:13 GMT 2023
|
Record UNII |
7FC996ZZL5
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Code | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Systematic Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
7FC996ZZL5
Created by
admin on Sat Dec 16 11:37:14 GMT 2023 , Edited by admin on Sat Dec 16 11:37:14 GMT 2023
|
PRIMARY | |||
|
202578-88-9
Created by
admin on Sat Dec 16 11:37:14 GMT 2023 , Edited by admin on Sat Dec 16 11:37:14 GMT 2023
|
PRIMARY | |||
|
9908904
Created by
admin on Sat Dec 16 11:37:14 GMT 2023 , Edited by admin on Sat Dec 16 11:37:14 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
SALT/SOLVATE -> PARENT |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |
This study investigated the biotransformation of (14C)BMS-561388 following single oral dose to rats (60 mg/kg, 60 uCi/kg), dogs (50 mg/kg, 10 uCi/kg), monkeys (60 mg/kg, 40 uCi/kg) and humans (200 mg, 100 uCi). Urine, feces and plasma samples were collected and metabolites of (14C)BMS-561388 were profiled using HPLC-MS and radioactivity detection. Following a single oral dose to rats, dogs, monkeys and humans, compound-related radioactivity was eliminated both in urine and feces. Percent recoveries of radioactive dose in urine ranged from 14.5% in rats, 5.9% in dogs, 48.6% in monkeys and 50.4% in humans. Fecal recoveries ranged from 67.8% in rats, 82.6% in dogs, 30.1% in monkeys and 28.3% in humans. In Human, the maximum mean concentration of (14C)BMS-561388-derived radioactivity in plasma was observed at 1.5 h posedose. Plasma levels declined slowly after reaching maximum concentration. The Cmax for BMS-561388 was 1.7 uM, approximately 40% lower than that of total radioactivity (TRA).
|