BMS-561388

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 Search

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

Title	Date	PubMed
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	21618986

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


					NQ8L686GDJ

BMS-561388 BESYLATE

SALT/SOLVATE -> PARENT

Related Record Type Details


					7FC996ZZL5

BMS-561388

ACTIVE MOIETY

Comments:

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).