基本情報
- CAS
130495-35-1- 標準SMILES
COc1ccc(CCCOC(Cn2ccnc2)c2ccc(OC)cc2)cc1.Cl- InChIKey
FWLPKVQUECFKSW-UHFFFAOYSA-N- 分子式
- C22H27ClN2O3
- 平均分子量
- 402.9 g/mol
- 単同位体質量
- 402.1710204
概要
SKF-96365 hydrochloride is the hydrochloride salt of SKF-96365. It is a TRP channel blocker. It has a role as an autophagy inducer, a TRP channel blocker, an antineoplastic agent, a calcium channel blocker, a platelet aggregation inhibitor, a GABA antagonist and an apoptosis inducer. It contains a SKF-96365 free base(1+).
名称と識別子
- 優先名称
- Skf 96365
- IUPAC
- 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole;hydrochloride
- 現地名
- SKF-96365塩酸塩
- 英語名
- SKF 96365 hydrochloride
- 分子式
- C22H27ClN2O3
- 分子量
- 402.91
名称と別名
130495-35-1SKF-96365SKF96365SK&F 963651-(2-(3-(4-Methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole hydrochloride33BI32858PSK&F-963651H-Imidazole, 1-(2-(4-methoxyphenyl)-2-(3-(4-methoxyphenyl)propoxy)ethyl)-, monohydrochlorideRefChem:9318391-(2-(3-(4-methoxyphenyl)propoxy)-4-methoxyphenylethyl)-1H-imidazole1-(2-(4-Methoxyphenyl)-2-(3-(4-methoxyphenyl)propoxy)ethyl)imidazoleSkf 96365
名称をさらに表示
SKF-96365塩酸塩1-[2-(4-メトキシフェニル)-2-[3-(4-メトキシフェニル)プロポキシ]エチル]-1H-イミダゾール塩酸塩1-[2-(4-メトキシフェニル)-2-[3-(4-メトキシフェニル)プロポキシ]エチル]-1H-イミダゾール・塩酸塩CS-2170SKF 96365 HCISKF-96365, HCSKF-96365, HClSK AND F 96365SKF 96365 hydrochlorSKF 96365, TRP channel blocker
SKF 96365 HYDROCHLORIDESKF-96365 hydrochloride1-(2-(4-Methoxyphenyl)-2-(3-(4-methoxyphenyl)propoxy)ethyl)-1H-imidazole hydrochlorideSKF-96365 (hydrochloride)MFCD002364071-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole;hydrochloride1H-Imidazole, 1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]-, hydrochloride (1:1)1-[2-(4-methoxyphenyl)-2-[3-(4-methoxyphenyl)propoxy]ethyl]imidazole hydrochloride
物性
構造計算による物性
- 極性表面積
- 45.5 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 10
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 393
物理化学的性質
- 融点
- 119 °C · 119 °C
- 貯蔵温度
- Inert atmosphere,Room Temperature
- 溶解性
- 2 O: · H2O: >20 mg/mL
- 外見
- 個体
- 色
- 白い
- 水溶解度
- 100 mMまで可溶 · 水に100mMまで可溶
- 安定性
- -20 °Cで最大3か月保存できます · DMSOまたは蒸留水の溶液で-20°Cで最大3か月保存できます.
- InChI
- 1S/C22H26N2O3.ClH/c1-25-20-9-5-18(6-10-20)4-3-15-27-22(16-24-14-13-23-17-24)19-7-11-21(26-2)12-8-19;/h5-14,17,22H,3-4,15-16H2,1-2H3;1H
- InChIKey
- FWLPKVQUECFKSW-UHFFFAOYSA-N
- SMILES
- Cl.COc1ccc(CCCOC(Cn2ccnc2)c3ccc(OC)cc3)cc1
- CAS データベース
- 130495 · 130495-35-1(CAS DataBase Reference)
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 38 reports by companies from 1 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
- hs_code
- 2933.29.4300
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
- ストレージクラス
- 11 - Combustible Solids
化学と産業
薬理情報
MeSH Pharmacological Classification
A class of drugs that act by selective inhibition of calcium influx through cellular membranes.
Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
応用分野
使用SKF 96365 Hydrochloride is a novel inhibitor of receptor-mediated calcium entry.
一般的な説明Inhibits receptor-mediated Ca2+ entry in stimulated platelets (IC50 = 8-12 μM in intact platelets), neutrophils, and endothelial cells (IC50 = 30 μM for human endothelial cells) at concentrations that do not affect internal Ca2+ release. Also inhibits voltage-gated Ca2+ entry in excitable cells. Inhibits the histamine-induced formation of nitric oxide in human endothelial cells.
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Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海优宁维生物科技股份有限公司15921930842 15921930842 · [email protected]
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