Basic information
- CAS
102203-18-9- Standard SMILES
N=C(N)SCCc1cnc[nH]1- InChIKey
PEHSVUKQDJULKE-UHFFFAOYSA-N- Molecular formula
- C6H10N4S
- Average molar mass
- 170.24 g/mol
- Monoisotopic mass
- 170.06261751
Overview
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+).
Names & identifiers
- Preferred name
- 2-(1H-Imidazol-5-yl)ethyl carbamimidothioate
- IUPAC
- 2-(1H-imidazol-5-yl)ethyl carbamimidothioate
- English name
- Imetit dihydrobromide
- Molecular formula
- C6H10N4S
- Molecular weight
- 170.24
Names & synonyms
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
Show more names
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
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 139
Physicochemical properties
- Density
- 1.44 · 1.44
- Flash point
- 214.3 ℃ · 214.3℃
- solubility
- 2 O: · H2O: soluble
- form
- solid
- color
- off-white
- FDA UNII
- 677 MJ4VPZC · 677MJ4VPZC
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-R36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- HS Code
- 29332900 · 29332900
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- hs_code
- 29332900
- risk_code
- 36/37/38-R36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
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.
Applications
UsesImetit dihydrobromide is a high affinity agonist at the histamine H3- and H4-receptors.
Suppliers4 total
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]
Additional notes
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.
Related reactions
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Compound notes
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