2-(1H-Imidazol-5-yl)ethyl carbamimidothioate
Grundinformationen
- CAS
102203-18-9- Standard-SMILES
N=C(N)SCCc1cnc[nH]1- InChIKey
PEHSVUKQDJULKE-UHFFFAOYSA-N- Summenformel
- C6H10N4S
- Durchschnittliche Molmasse
- 170,24 g/mol
- Monoisotopische Masse
- 170,06261751
Überblick
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+).
Namen und Bezeichner
- Bevorzugter Name
- 2-(1H-Imidazol-5-yl)ethyl carbamimidothioate
- IUPAC
- 2-(1H-imidazol-5-yl)ethyl carbamimidothioate
- Englischer Name
- Imetit dihydrobromide
- Summenformel
- C6H10N4S
- Molmasse
- 170.24
Namen und Synonyme
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
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
102203-18-9- PubChem CID
- 3692
- DTXSID
DTXSID8043737- ChEMBL
CHEMBL1490875、CHEMBL19439- ChEBI
CHEBI:64156- UNII
- 677MJ4VPZC
- Nikkaji
- J506.341H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 0,2
- Polarare Oberfläche (TPSA)
- 104 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 139
Physikochemische Eigenschaften
- Dichte
- 1.44 · 1.44
- Flammpunkt
- 214.3 ℃ · 214.3℃
- Löslichkeit
- 2 O: · H2O: soluble
- Aggregatzustand
- solid
- Farbe
- off-white
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 36/37/38-R36/37/38
- hazard_code
- Xi
- safety_code
- 26-36
Chemie und Industrie
Pharmakologische Informationen
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.
Anbieter4 Anbieter
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]
Ergänzende Hinweise
DefinitionChEBI: 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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