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フルスピリレン

Fluspirilene

HCID 3396
ノート反応
基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
部分構造検索類似構造を探す

基本情報

CAS
1841-19-6
標準SMILES
O=C1NCN(c2ccccc2)C12CCN(CCCC(c1ccc(F)cc1)c1ccc(F)cc1)CC2
InChIKey
QOYHHIBFXOOADH-UHFFFAOYSA-N
分子式
C29H31F2N3O
平均分子量
475.6 g/mol
単同位体質量
475.24351894

概要

8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is a diarylmethane.

名称と識別子

優先名称
Fluspirilene
IUPAC
8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
現地名
フルスピリレン
英語名
FLUSPIRILENE
分子式
C29H31F2N3O
分子量
475.57

名称と別名

Fluspirilene1841-19-6RedeptinImapFluspirilenoMcN-JR-62188-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-oneR 6218FluspirilenumDTXSID7045152R-6218C5QA4GLR9M
名称をさらに表示
8-[4,4-ビス(p-フルオロフェニル)ブチル]-1-フェニル-1,3,8-トリアザスピロ[4.5]デカン-4-オン8-[4,4-ビス(4-フルオロフェニル)ブチル]-1-フェニル-1,3,8-トリアザスピロ[4.5]デカン-4-オンレデプチンイマプイマップフルスピリレンFluspirilenFluspirilene CRSFluspirilene (R 6218FLUSPIRILENE USP/EP/BPParoxetine EP IMpurity C
8-(4,4-Bis(p-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro-(4.5)decan-4-one1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-SpirodiflamineDTXCID50251521,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-Beta, Fluspirilen8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one8-(4,4-bis(4-fluorophenyl)butyl)-1-phenyl-1,3,8-triazaspiro(4.5)decan-4-one

データベース識別子

CAS

物性

構造計算による物性

XLogP
5.6
極性表面積
35.6 Ų
水素結合供与体数
1
水素結合受容体数
5
回転可能結合数
7
重原子数
35
形式電荷
0
複雑度
653

実験および物理化学的性質

Drugs · 2 件

Pharmaceuticals -> Listed in ZINC15

Pharmaceuticals -> Nervous system -> Antipsychotics

LogP · 2 件

5.86

5.86

Solubility1.67e-03 g/L
Melting Point187.5-190
Physical DescriptionSolid
Dissociation Constants · 2 件

8.66

7.7

物理化学的性質

融点
187.5 · 187.5-190°
沸点
668.9 · 668.9±55.0 °C(Predicted)
比重(密度)
1.1634 · 1.1634 (estimate)
貯蔵温度
room temp
溶解性
DMSO:可溶
外見
非晶質固体
酸解離定数(Pka)
15.05 · 15.05±0.20(Predicted)
色
白から黄色
InChIKey
QOYHHIBFXOOADH-UHFFFAOYSA-N

安全と法規制

安全情報は参考情報です。供給元の安全データシート(SDS)、適用法令、専門家による評価に代わるものではありません。

GHS分類

GHS Classification · 4 件

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

危険有害性情報

Other Safety InformationIMAP assessments - 1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)butyl]-1-phenyl-: Environment tier I assessment
Hazard Classes and CategoriesAcute Tox. 3 (100%)

毒性情報

Drug Induced Liver Injury · 5 件

Drug-Induced Liver Injury Severity and Toxicity (DILIst)

fluspirilene

DILI Positive

Intramuscular

DOI:10.1016/j.drudis.2019.09.022

安全データ

wgk
3
rtecs
XX8750000
ridadr
3249
毒性
LD50 i.m. in rats: 146 ±14 mg/kg (Janssen)
hazard_class
6.1(b)
packing_group
III
ストレージクラス
11 - Combustible Solids

化学と産業

薬理情報

ATC Code · 3 件

N05AG01

N - Nervous system

QN - Nervous system

Pharmacodynamics · 1 件

Fluspirilene is a relatively long-acting injectable depot antipsychotic drug used for schizophrenia. Fluspirilene does not differ greatly from other depot antipsychotics (fluphenazine decanoate, fluphenazine enathate, perphenazine onanthat, pipotiazine undecylenate) with respect to treatment efficacy, response or tolerability. Outcomes suggest that fluspirilene does not differ significantly from oral antipsychotics or in different weekly regimens, although much cannot be inferred because of the shortage of trials.

MeSH Pharmacological Classification · 2 件

Agents that control agitated psychotic behavior, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect. They are used in SCHIZOPHRENIA; senile dementia; transient psychosis following surgery; or MYOCARDIAL INFARCTION; etc. These drugs are often referred to as neuroleptics alluding to the tendency to produce neurological side effects, but not all antipsychotics are likely to produce such effects. Many of these drugs may also be effective against nausea, emesis, and pruritus.

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.

Cellular LocationsMembrane
応用分野 · 2 件

説明Fluspirilene is a potent, non-competitive antagonist of agonist-activated L-type calcium channels (IC50 = 0.03 μM). In addition to its use in research as a calcium channel blocker, fluspirilene has potential application as an antipsychotic in schizophrenia.

関連反応

0 件
反応記録を作成

現在のフィルター条件では反応記録がありません。

化合物ノート

読み込み中…

このページの内容基本情報概要名称と識別子物性安全と法規制化学と産業関連反応化合物ノート
1841-19-6
PubChem CID
3396
DTXSID
DTXSID7045152
ChEMBL
CHEMBL46516
ChEBI
CHEBI:93369
UNII
C5QA4GLR9M
EC Number
217-418-6
Nikkaji
J7.791G
SMILES
Fc1ccc(cc1)C(CCCN2CCC3(CC2)N(CNC3=O)c4ccccc4)c5ccc(F)cc5
CAS データベース
1841 · 1841-19-6

化学的性質

化学的特性White or almost white powder.

使用Fluspirilene has been used as a neuroleptic drug to study its effects on human ether-a-go-go related gene (HERG).

上流・下流製品情報

上流原料

塩化スルフィニル水素1,1-ビス(4-フルオロフェニル)-4-ブロモブタン1,3,8-Triazaspiro[4.5]decan-4-one, 8-[4,4-bis(4-fluorophenyl)-3-buten-1-yl]-1-phenyl-1-フェニル-1,3,8-トリアザスピロ[4.5]デカン-4-オン

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