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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
Structure of BMS-561388

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

HIDE SMILES / InChI

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

PubMed

TitleDatePubMed
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 Sat Dec 16 11:37:13 GMT 2023
Edited
by admin
on Sat Dec 16 11:37:13 GMT 2023
Record UNII
7FC996ZZL5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMS-561388
Code English
BMS 561388
Code English
PYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4-AMINE, N,N-BIS(2-METHOXYETHYL)-8-(4-METHOXY-2-METHYLPHENYL)-2,7-DIMETHYL-
Systematic Name English
N,N-BIS(2-METHOXYETHYL)-8-(4-METHOXY-2-METHYLPHENYL)-2,7-DIMETHYLPYRAZOLO(1,5-A)-1,3,5-TRIAZIN-4-AMINE
Systematic Name English
Code System Code Type Description
FDA UNII
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
CAS
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
PUBCHEM
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).