U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C30H32N6
Molecular Weight 476.6153
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline

SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(N2)C=CC=C3N4CCN(CC5=CC6=C(C=C5)N=CC=N6)CC4

InChI

InChIKey=AVEVJMZJJJDOCI-UHFFFAOYSA-N
InChI=1S/C30H32N6/c1-30(2,3)23-10-8-22(9-11-23)29-33-25-5-4-6-27(28(25)34-29)36-17-15-35(16-18-36)20-21-7-12-24-26(19-21)32-14-13-31-24/h4-14,19H,15-18,20H2,1-3H3,(H,33,34)

HIDE SMILES / InChI
Molecular Formula C30H32N6
Molecular Weight 476.6153
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Description
Curator's Comment: description was created based on several sources, including: http://www.google.com.na/patents/US20060211699

WAY 207024 dihydrochloride has been reported to be a potent and high affinity gonadotrophin releasing hormone receptor (GnRH-R) antagonist. WAY 207024 was assessed in vitro for broad off-target activity (65 receptors and enzymes), including the hERG potassium channel, at 2 µM. Some activity at the histamine H2, nonselective opioid, and neurokinin NK2 receptors was noted. Rats, treated orally with WAY 207024 showed profound suppression of leuteinizing hormone that lasted for up to 24 h.

Originator

Wyeth
117
Curator's Comment: # Wyeth Research

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Antagonist
2849
 12.0 nM [IC50]
Modulator
846
 330.0 nM [Ki]
Modulator
846
 850.0 nM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Patents

Patents

US20060211699 A1
1

Sample Use Guides

In Vivo Use Guide
Rat: 30 mg/kg
Route of Administration: Oral
In Vitro Use Guide
WAY-207024 showed moderate liver microsome stability (t1/2 = 16 min) and PAMPA membrane diffusion characteristics (Pe = 0.23 × 10-6 cm/s).
Substance Class Chemical
Created
by admin
on Wed Apr 02 05:22:12 GMT 2025
Edited
by admin
on Wed Apr 02 05:22:12 GMT 2025
Record UNII
D68C48FA7B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]quinoxaline
Systematic Name English
6-[[4-[2-[4-(1,1-Dimethylethyl)phenyl]-1H-benzimidazol-7-yl]-1-piperazinyl]methyl]quinoxaline
Preferred Name English
Quinoxaline, 6-[[4-[2-[4-(1,1-dimethylethyl)phenyl]-1H-benzimidazol-7-yl]-1-piperazinyl]methyl]-
Systematic Name English
Code System Code Type Description
FDA UNII
D68C48FA7B
Created by admin on Wed Apr 02 05:22:12 GMT 2025 , Edited by admin on Wed Apr 02 05:22:12 GMT 2025
PRIMARY
CAS
872002-72-7
Created by admin on Wed Apr 02 05:22:12 GMT 2025 , Edited by admin on Wed Apr 02 05:22:12 GMT 2025
PRIMARY
PUBCHEM
11496610
Created by admin on Wed Apr 02 05:22:12 GMT 2025 , Edited by admin on Wed Apr 02 05:22:12 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966