ホームMCPワークベンチSkills
ホームワークベンチ通知マイページ
化工社オープンプロジェクト:[email protected]AIアクセス:llms.txt · MCPガイドプライバシーポリシー · 利用規約 · サポートv1.7.9
  1. ホーム
  2. /化合物

(14bS)-1,2,3,4,10,14b-ヘキサヒドロ-2-メチルピラジノ[2,1-a]ピリド[2,3-c][2]ベンゾアゼピン

Esmirtazapine

HCID 3085218
ノートを作成反応を作成見積依頼を出す印刷プレビュー
基本情報概要名称と識別子物性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
61337-87-9
標準SMILES
CN1CCN2c3ncccc3Cc3ccccc3[C@H]2C1
InChIKey
RONZAEMNMFQXRA-MRXNPFEDSA-N
分子式
C17H19N3
平均分子量
265.35 g/mol
単同位体質量
265.15789762

概要

Esmirtazapine, known by the standardized identifier SCH 900265, was under development by Organon to treat insomnia and vasomotor symptoms associated with menopause. Esmirtazapine is the (S)-(+)-enantiomer of mirtazapine and possesses similar overall pharmacology. This includes inverse agonist activity of H1 and 5-HT2 receptors and antagonism of α2-adrenergic receptors. Merck has terminated its internal clinical development program for esmirtazapine as of March 2010.

名称と識別子

優先名称
Esmirtazapine
IUPAC
(7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene
現地名
(14bS)-1,2,3,4,10,14b-ヘキサヒドロ-2-メチルピラジノ[2,1-a]ピリド[2,3-c][2]ベンゾアゼピン
英語名
(S)-1,2,3,4,10,14b-hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepine
分子式
C17H19N3
分子量
265.35286

名称と別名

Esmirtazapine(S)-Mirtazapine61337-87-9(+)-Mirtazapine(s)-6-azamianserinMirtazapine, (s)-(s)-org 3770esmirtazapinaOrg-44-20(S)-1,2,3,4,10,14b-Hexahydro-2-methylpyrazino(2,1-a)pyrido(2,3-c)(2)benzazepine4685R51V7MDTXSID001029320
名称をさらに表示
S-(+)-ミルタザピン(+)-ミルタザピン(14bS)-1,2,3,4,10,14b-ヘキサヒドロ-2-メチルピラジノ[2,1-a]ピリド[2,3-c][2]ベンゾアゼピン(S)-ミルタザピン(S)-6-アザミアンセリン(+)-(S)-ミルタザピン(14bS)-1,2,3,4,10,14bα-ヘキサヒドロ-2-メチルピラジノ[2,1-a]ピリド[2,3-c][2]ベンゾアゼピンエスミルタザピン(7S)-5-メチル-2,5,19-トリアザテトラシクロ[13.4.0.02,7.08,13]ノナデカ-1(19),8,10,12,15,17-ヘキサエン(S)-Org3770D3-S-MirtazapineS-(+)-Mirtazapine(+)-(S)-Mirtazapine(S)-Mirtazapine-13C-d3Mirtazapine Impurity 23(S)Mirtazapine,(S) Mirtazapine
(S)-1,2,3,4,10,14b-hexahydro-2-methylpyrazino[2,1-a]pyrido[2,3-c][2]benzazepineesmirtazapinumRefChem:137870DTXCID901514590(7S)-5-methyl-2,5,19-triazatetracyclo(13.4.0.02,?.0?,13)nonadeca-1(15),8,10,12,16,18-hexaene262-714-0Esmirtazapine [INN](7S)-5-methyl-2,5,19-triazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),8,10,12,16,18-hexaene

物性

構造計算による物性

XLogP
3.3
極性表面積
19.4 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
0
重原子数
20
形式電荷
0
複雑度
345

実験および物理化学的性質

SolubilitySoluble in methanol and chloroform mg/mL (20 °C)

物理化学的性質

融点
85 · 85 - 87°C
貯蔵温度
-20 °C · -20°C Freezer
溶解性
クロロホルム(微量)、メタノール(微量)
外見
個体
色
ホワイトからオフホワイト

化学と産業

薬理情報

Biological Half-Life10 hours
MeSH Pharmacological Classification · 6 件

Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.

Drugs that selectively bind to but do not activate histamine H1 receptors, thereby blocking the actions of endogenous histamine. Included here are the classical antihistaminics that antagonize or prevent the action of histamine mainly in immediate hypersensitivity. They act in the bronchi, capillaries, and some other smooth muscles, and are used to prevent or allay motion sickness, seasonal rhinitis, and allergic dermatitis and to induce somnolence. The effects of blocking central nervous system H1 receptors are not as well understood.

Agents that alleviate ANXIETY, tension, and ANXIETY DISORDERS, promote sedation, and have a calming effect without affecting clarity of consciousness or neurologic conditions. ADRENERGIC BETA-ANTAGONISTS are commonly used in the symptomatic treatment of anxiety but are not included here.

Drugs that bind to and block the activation of ADRENERGIC ALPHA-2 RECEPTORS.

Drugs that bind to but do not activate SEROTONIN 5-HT2 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT2 RECEPTOR AGONISTS. Included under this heading are antagonists for one or more specific 5-HT2 receptor subtypes.

Drugs that bind to but do not activate SEROTONIN 5-HT3 RECEPTORS, thereby blocking the actions of SEROTONIN or SEROTONIN 5-HT3 RECEPTOR AGONISTS.

応用分野

使用S-Mirtazapine is an enantiomer of Mirtazapine (M365000); an antidepressant. R-Mirtazapine showed antinociceptive effects in acute thermal nociception, whereas S-Mirtazapine showed pronociceptive effects.

サプライヤー

読み込み中…

公開中の見積依頼

読み込み中…

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化学と産業関連反応化合物ノート

データベース識別子

CAS
61337-87-9
PubChem CID
3085218
DTXSID
DTXSID001029320
ChEMBL
CHEMBL1366933
UNII
4685R51V7M
EC Number
262-714-0
Nikkaji
J279.597C