基本情報
- CAS
102203-18-9- 標準SMILES
N=C(N)SCCc1cnc[nH]1- InChIKey
PEHSVUKQDJULKE-UHFFFAOYSA-N- 分子式
- C6H10N4S
- 平均分子量
- 170.24 g/mol
- 単同位体質量
- 170.06261751
概要
Imetit is an imidothiocarbamic ester that consists of isothiourea in which the thiol hydrogen is substituted by a 2-(imidazol-4-yl)ethyl group. An extremely potent, high affinity agonist at H3 and H4 receptors (Ki values are 0.3 and 2.7 nM respectively). Induces shape change in eosinophils with an EC50 of 25 nM. Centrally active following systemic administration. It has a role as a H3-receptor agonist and a H4-receptor agonist. It is a member of imidazoles and an imidothiocarbamic ester. It is a conjugate base of an imetit(2+).
名称と識別子
- 優先名称
- 2-(1H-Imidazol-5-yl)ethyl carbamimidothioate
- IUPAC
- 2-(1H-imidazol-5-yl)ethyl carbamimidothioate
- 現地名
- 2-[2-(1H-イミダゾール-4-イル)エチル]イソチオ尿素
- 英語名
- Imetit dihydrobromide
- 分子式
- C6H10N4S
- 分子量
- 170.24
名称と別名
imetit102203-18-92-(1h-imidazol-5-yl)ethyl carbamimidothioateS-(2-(4-Imidazolyl)ethyl)isothiourea2-(1H-Imidazol-4-yl)ethyl carbamimidothioate677MJ4VPZCCHEBI:64156Carbamimidothioic acid, 2-(1H-imidazol-4-yl)ethyl esterDTXSID80437372-(1H-imidazol-5-yl)ethyl imidothiocarbamateS-[2-(4-imidazolyl)ethyl]isothioureaRefChem:909061
名称をさらに表示
イメチット{[2-(1H-イミダゾール-4-イル)エチル]スルファニル}メタンイミドアミドカルバミミドチオ酸2-(1H-イミダゾール-4-イル)エチル2-[2-(1H-イミダゾール-4-イル)エチル]イソチオ尿素Imetit dihydrobromide2-[2-(1H-imidazol-5-yl)ethyl]isothiourea2-[2-(1H-Imidazol-4-yl)-ethyl]-isothioureaS-[2-(IMIDAZOL-4-YL)ETHYL]ISOTHIOUREA DIHYDROBROMIDE5-[2-(IMIDAZOL-4-YL)ETHYL]ISOTHIOUREA DIHYDROBROMIDECarbaMiMidothioic acid, 2-(1H-iMidazol-5-yl)ethyl ester
DTXCID6023737{[2-(1H-imidazol-5-yl)ethyl]sulfanyl}methanimidamideCHEMBL19439Imetit (dihydrobromide)2-(1~{H}-imidazol-5-yl)ethyl carbamimidothioate2-(3H-imidazol-4-yl)ethylsulfanylmethanimidamideVUF 8325 (dihydrobromide);SKF 91105 (dihydrobromide)CHEMBL1490875
物性
構造計算による物性
- XLogP
- 0.2
- 極性表面積
- 104 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 3
- 回転可能結合数
- 4
- 重原子数
- 11
- 形式電荷
- 0
- 複雑度
- 139
物理化学的性質
- 比重(密度)
- 1.44 · 1.44
- 闪点
- 214.3 ℃ · 214.3℃
- 溶解性
- 2 O: · H2O: 可溶
- 外見
- 個体
- 色
- オフホワイト
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
- hs_code
- 29332900
- risk_code
- 36/37/38-R36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
化学と産業
薬理情報
MeSH Pharmacological ClassificationDrugs that bind to and activate histamine receptors. Although they have been suggested for a variety of clinical applications histamine agonists have so far been more widely used in research than therapeutically.
サプライヤー4 社
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海芮晖化工科技有限公司021-31433387 15618786686 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
重庆卡兰医药有限公司[email protected]
補足説明
定義ChEBI: An imidothiocarbamic ester that consists of isothiourea in which the thiol hydrogen is substituted by a 2-(imidazol-4-yl)ethyl group. An extremely potent, high affinity agonist at H3 and H4 receptors (Ki values are 0.3 and 2.7 nM respectively). Induces shape change in eosinophils with an EC50 of 25 nM. Centrally active following systemic administration.
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