基本情報
- CAS
35838-58-5- 標準SMILES
CCOC(=O)c1cnc2c(cnn2CC)c1NN=C(C)C.Cl- InChIKey
GQJUGJHJUZSJLZ-UHFFFAOYSA-N- 分子式
- C14H20ClN5O2
- 平均分子量
- 325.79 g/mol
- 単同位体質量
- 325.1305526
概要
See also: Etazolate (has active moiety).
名称と識別子
- 優先名称
- Etazolate Hydrochloride
- IUPAC
- ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochloride
- 現地名
- エタゾラート塩酸塩
- 英語名
- ETAZOLATE
- 分子式
- C14H18N5O2HCl
- 分子量
- 0
名称と別名
Etazolate hydrochloride35838-58-5Etazolate HClSQ 20009DTXSID4045767NSC-1636117YO3254Y6BDTXCID2025767Hydrochloride, EtazolateRefChem:138000SQ20009636-859-9
名称をさらに表示
エタゾラート塩酸塩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·塩酸塩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・塩酸塩Nsc163611Etazolate hydrochloride solid1-ethyl-4-[(1-methylethylidene)hydrazino]1h-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester hydrochloride1H-Pyrazolo[3,4-B]pyridine-5-carboxylic acid, 1-ethyl-4-[(1-methylethylidene)hydrazino]-, ethyl ester, monohydrochlorideSQ20009, 1-Ethyl-4-[(1-methylethylidene)hydrazino]1H-pyrazolo[3,4-b]pyridine-5-carboxylic acid ethyl ester hydrochloride
SQ-20009Etazolate (hydrochloride)Etazolate hydrochloride [USAN]ethyl 1-ethyl-4-(2-propan-2-ylidenehydrazinyl)pyrazolo[3,4-b]pyridine-5-carboxylate;hydrochlorideNCGC00093857-01SQ 64442Ethyl 1-ethyl-4-(isopropylidenehydrazino)-1H-pyrazolo[3,4-b]pyridine-5-carboxylate monohydrochlorideEtazolate hydrochloride (USAN)
物性
構造計算による物性
- 極性表面積
- 81.4 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 6
- 回転可能結合数
- 6
- 重原子数
- 22
- 形式電荷
- 0
- 複雑度
- 397
物理化学的性質
- 融点
- 193 · 193-194 °C
- 貯蔵温度
- room temp
- 溶解性
- 2 O: · H2O: >20mg/mL (溶液は新しく調製する必要があります。)
- 外見
- 個体
- 色
- 白い
- 水溶解度
- 2 O: · H2O: >20mg/mL (Solutions should be freshly prepared.)
- InChI
- 1S/C14H19N5O2.ClH/c1-5-19-13-10(8-16-19)12(18-17-9(3)4)11(7-15-13)14(20)21-6-2;/h7-8H,5-6H2,1-4H3,(H,15,18);1H
- InChIKey
- GQJUGJHJUZSJLZ-UHFFFAOYSA-N
- SMILES
- Cl.CCOC(=O)c1cnc2n(CC)ncc2c1N\N=C(\C)C
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
危険有害性情報
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
安全データ
- wgk
- 3
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
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.
応用分野
使用Etazolate Hydrochloride is an acyclic nucleotide phosphodiesterase 4 inhibitor, which also exhibits antidepressant-like activity in acute and chronic mouse and rat model of depression.
サプライヤー12 社
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
南通全益生物科技有限公司0513-66337626 18051384581 · [email protected]
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