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4'-ACETYL-N-[4-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]BUTYL]-[1,1'-BIPHENYL]-4-CARBOXAMIDE

4'-ACETYL-N-[4-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]BUTYL]-[1,1'-BIPHENYL]-4-CARBOXAMIDE structure

CAS No:
162408-66-4
Formula:
C30H35N3O3
Chemical Name:
4'-ACETYL-N-[4-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]BUTYL]-[1,1'-BIPHENYL]-4-CARBOXAMIDE
Synonyms:
4""-acetyl-N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)(1,1""-biphenyl)-4-carboxamide;GR 103691;GR-103691;GR103691;4"-Acetyl-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]-[1,1"-biphenyl]-4-carboxamide;UNII-0Y0CM1A77L;0Y0CM1A77L;CHEMBL294747

Description

GR 103691 is a potent, selective dopamine D3 receptor antagonist with a Ki value of 0.4 nM. GR 103691 shows more than 100-fold selectivity for human dopamine human (h)D3 over hD4 and hD1 sites[1].

4-(4-acetylphenyl)-N-[4-[4-(2-methoxyphenyl)-1-piperazinyl]butyl]benzamide is an aromatic ketone.

4'-ACETYL-N-[4-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]BUTYL]-[1,1'-BIPHENYL]-4-CARBOXAMIDE Basic Attributes

Molecular Weight：

485.62

Exact Mass：

485.267853

UNII：

0Y0CM1A77L

DSSTox ID：

DTXSID6042602

Characteristics

PSA：

61.9

XLogP3：

4.47

Appearance：

white solid

Density：

1.132

Boiling Point：

688.7±55.0 °C at 760 mmHg

Flash Point：

370.3±31.5 °C

Refractive Index：

1.582

Water Solubility：

DMSO: ~9 mg/mL at 60 °C, soluble

Storage Conditions：

2-8°C

Vapor Pressure：

8.07E-19mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

22-24/25

Drug Information

MeSH：

Drugs that bind to but do not activate DOPAMINE RECEPTORS, thereby blocking the actions of dopamine or exogenous agonists. Many drugs used in the treatment of psychotic disorders (ANTIPSYCHOTIC AGENTS) are dopamine antagonists, although their therapeutic effects may be due to long-term adjustments of the brain rather than to the acute effects of blocking dopamine receptors. Dopamine antagonists have been used for several other clinical purposes including as ANTIEMETICS, in the treatment of Tourette syndrome, and for hiccup. Dopamine receptor blockade is associated with NEUROLEPTIC MALIGNANT SYNDROME. (See all compounds classified as Dopamine Antagonists.)

MeSH Entry Terms：

4''-acetyl-N-(4-(4-(2-methoxyphenyl)-1-piperazinyl)butyl)(1,1''-biphenyl)-4-carboxamide

4'-ACETYL-N-[4-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]BUTYL]-[1,1'-BIPHENYL]-4-CARBOXAMIDE Use and Manufacturing

A potent and selective dopamine D 3 receptor antagonist, with a K i value of 0.3 nM and > 100- fold selectivity over D 2 and D 4 sites.

Computed Properties

Molecular Weight:485.6
XLogP3:4.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:485.26784199
Monoisotopic Mass:485.26784199
Topological Polar Surface Area:61.9
Heavy Atom Count:36
Complexity:677
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4'-ACETYL-N-[4-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]BUTYL]-[1,1'-BIPHENYL]-4-CARBOXAMIDE

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties

4'-ACETYL-N-[4-[4-(2-METHOXYPHENYL)-1-PIPERAZINYL]BUTYL]-[1,1'-BIPHENYL]-4-CARBOXAMIDE

SDS

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