Nan 190

HCID 4431

基本情報

CAS: 102392-05-2
標準SMILES: COc1ccccc1N1CCN(CCCCN2C(=O)c3ccccc3C2=O)CC1
InChIKey: SJDOMIRMMUGQQK-UHFFFAOYSA-N
分子式: C23H27N3O3
平均分子量: 393.5 g/mol
単同位体質量: 393.20524172

概要

NAN 190 is an N-alkylpiperazine that consists of (2-methoxyphenyl)piperazine in which the amine hydrogen is substituted by a 4-(2-phthalimido)butyl group. It has a role as a serotonergic antagonist. It is a N-alkylpiperazine, a N-arylpiperazine and a member of phthalimides. It is a conjugate base of a NAN 190(1+).

名称と識別子

優先名称: Nan 190
IUPAC: 2-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione
英語名: 1H-Isoindole-1,3(2H)-dione, 2-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-
分子式: C23H27N3O3
分子量: 393.48

名称と別名

Nan 190NAN190DTXSID3043813CHEBI:641312-{4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl}-1H-isoindole-1,3(2H)-dione2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-1H-isoindole-1,3(2H)-dioneRefChem:164498DTXCID1023813NAN-190102392-05-22-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]isoindole-1,3-dione2-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)isoindoline-1,3-dione

名称をさらに表示

N-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-phthaliMide

CHEMBL8618LQE19CTV541H-Isoindole-1,3(2H)-dione, 2-[4-[4-(2-Methoxyphenyl)-1-piperazinyl]butyl]-1-(2-methoxyphenyl)-4-(4-phthalimidobutyl)piperazine4-(2-Methoxyphenyl)-1-(4-(N-phthalimido)butyl)piperazine2-(4-(4-(2-Methoxyphenyl)piperazin-1-yl)butyl)isoindole-1,3-dione2-(4-(4-(2-Methoxyphenyl)-1-piperazinyl)butyl)-1H-isoindole-1,3(2H)-dione2-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-isoindole-1,3-dione

データベース識別子

CAS: 102392-05-2
PubChem CID: 4431
DTXSID: DTXSID3043813
ChEMBL: CHEMBL8618
ChEBI: CHEBI:64131
UNII: LQE19CTV54
Nikkaji: J347.045H

物性

構造計算による物性

XLogP: 3.2
極性表面積: 53.1 Å²
水素結合供与体数: 0
水素結合受容体数: 5
回転可能結合数: 7
重原子数: 29
形式電荷: 0
複雑度: 552

物理化学的性質

融点: 68 · 68-70 °C
沸点: 560.8 · 560.8±50.0 °C(Predicted)
比重(密度): 1 · 1+-.0.06 g/cm3(Predicted)
酸解離定数(Pka): 7.89 · 7.89±0.10(Predicted)

化学と産業

薬理情報

MeSH Pharmacological ClassificationDrugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or SEROTONIN RECEPTOR AGONISTS.

サプライヤー8 社

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

上海眷开生物医药有限公司15052267297

上海碧咸医药科技有限公司13816613772 · [email protected]

天津凯利奇生物科技有限公司15076683720 · [email protected]

上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]

化合物ノート

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