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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(C=CC=C3N2)N4CCN(CC5=CC=C6N=CC=NC6=C5)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

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

Curator's Comment: # Wyeth Research

Approval Year

Targets

Targets

Primary TargetPharmacologyConditionPotency
12.0 nM [IC50]
330.0 nM [Ki]
850.0 nM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
PubMed

PubMed

TitleDatePubMed
Patents

Sample Use Guides

Rat: 30 mg/kg
Route of Administration: Oral
WAY-207024 showed moderate liver microsome stability (t1/2 = 16 min) and PAMPA membrane diffusion characteristics (Pe = 0.23 × 10-6 cm/s).
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
Systematic 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 Sat Dec 16 15:20:13 GMT 2023 , Edited by admin on Sat Dec 16 15:20:13 GMT 2023
PRIMARY
CAS
872002-72-7
Created by admin on Sat Dec 16 15:20:13 GMT 2023 , Edited by admin on Sat Dec 16 15:20:13 GMT 2023
PRIMARY
PUBCHEM
11496610
Created by admin on Sat Dec 16 15:20:13 GMT 2023 , Edited by admin on Sat Dec 16 15:20:13 GMT 2023
PRIMARY