基本情報
- CAS
51022-77-6- 標準SMILES
CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C- InChIKey
OPQRBXUBWHDHPQ-UHFFFAOYSA-N- 分子式
- C14H19N5O2
- 平均分子量
- 289.33 g/mol
- 単同位体質量
- 289.15387487
概要
Etazolate is a pyrazolopyridine that is 1H-pyrazolo[3,4-b]pyridine which is substituted at positions 1, 4, and 5 by ethyl, 2-isopropylidenehydrazino, and ethoxycarbonyl groups, respectively. A phosphodiesterase IV inhibitor with antidepressant and anxiolytic properties. It has a role as an antidepressant, an anxiolytic drug, an antipsychotic agent, a GABA agent, a neuroprotective agent, a phosphodiesterase IV inhibitor and an alpha-secretase activator. It is an ethyl ester, a hydrazone and a pyrazolopyridine.
名称と識別子
- 優先名称
- Etazolate
- IUPAC
- ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate
- 現地名
- 1-エチル-4-(2-イソプロピリデンヒドラジノ)-1H-ピラゾロ[3,4-b]ピリジン-5-カルボン酸エチル
- 英語名
- ETAZOLATE
- 分子式
- C14H19N5O2
- 分子量
- 289.33
名称と別名
etazolate51022-77-6EtazolatoEtazolatumEHT-0202I89Y79062L1H-Pyrazolo(3,4-b)pyridine-5-carboxylic acid, 1-ethyl-4-((1-methylethylidene)hydrazino)-, ethyl esterDTXSID4048434CHEBI:138502ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[4,5-e]pyridine-5-carboxylateethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo(4,5-e)pyridine-5-carboxylateRefChem:137999
名称をさらに表示
1-エチル-4-(2-イソプロピリデンヒドラジノ)-1H-ピラゾロ[3,4-b]ピリジン-5-カルボン酸エチルエタゾラート塩酸エタゾレートエチル 1-エチル-4-[2-(プロパン-2-イリデン)ヒドラジン-1-イル]-1H-ピラゾロ[3,4-b]ピリジン-5-カルボキシラートETAZOLATE HYDROCHLORIDESQ 20009SQ 64442Zinc00001379Etazolate hydrochlor1-Ethyl-4-[2-(1-Methylethylidene)hydrazinyl]-1-Ethyl-4-isopropylidenehydrazino-1H-pyrazolo[3,4-b]-1-pyridine-5-carboxylic Acid Ethyl Ester1-Ethyl-4-isopropylidenehydrazino- 1H-pyrazolo[3,4-β]-1-pyridine-5-carboxylic Acid Ethyl Ester
物性
構造計算による物性
- XLogP
- 2.1
- 極性表面積
- 81.4 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 397
物理化学的性質
- 融点
- 193 · 193-194°C
- 沸点
- 427.6 · 427.6±55.0 °C(Predicted)
- 比重(密度)
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- 貯蔵温度
- Store at RT
- 溶解性
- 2 O: · H2O: >20mg/mL の溶液は新たに調製する必要があります。
- 酸解離定数(Pka)
- 9.94 · 9.94±0.70(Predicted)
- 外見
- 個体
- 色
- 白い
- CAS データベース
- 51022 · 51022-77-6
化学的性質
化学的特性Off-White Solid
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。
安全データ
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
薬理情報
Mechanism of Action
EHT 0202 was discovered to play a role in protecting neurons in pharmacological models of neuronal cell death. ExonHit identified RNA isoforms produced by alterations of splicing specifically taking place in neurodegenerative disease models. These isoforms were identified using DATAS(TM), ExonHit's proprietary gene profiling technology. DATAS(TM), stands for Differential Analysis of Transcripts with Alternative Splicing.
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the biosynthesis or actions of phosphodiesterases.
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.
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