Basic information
- CAS
80880-90-6- Standard SMILES
Cc1scc2c1N(C(=O)CN1CCN(C)CC1)c1ccccc1NC2=O- InChIKey
VSWPGAIWKHPTKX-UHFFFAOYSA-N- Molecular formula
- C19H22N4O2S
- Average molar mass
- 370.5 g/mol
- Monoisotopic mass
- 370.14634713
Overview
1-methyl-10-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one is a benzodiazepine.
Names & identifiers
- Preferred name
- Telenzepine
- IUPAC
- 1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
- English name
- TELENZEPINE 2HCL
- Molecular formula
- C19H22N4O2S
- Molecular weight
- 370.475
Names & synonyms
Telenzepine80880-90-6TelenzepinumDTXSID5045209Telenzepina0990EG3K10NSC-7586794,9-Dihydro-3-methyl-4-((4-methyl-1-piperazinyl)acetyl)-10H-thieno(3,4-b)(1,5)benzodiazepin-10-oneDTXCID3025209RefChem:932670Telenzepine [INN]1-methyl-10-[2-(4-methylpiperazin-1-yl)acetyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one
Show more names
SK-871telenzepine dihydrochloride hydrate10H-Thieno[3,4-b][1,5]benzodiazepin-10-one, 4,9-dihydro-3-methyl-4-[2-(4-methyl-1-piperazinyl)acetyl]-4,9-dihydro-3-methyl-4-[(4-methyl-1-piperazinyl)acetyl]-10h-thieno[3,4-b][1,5]benzodiazepin-10-one dihydrobromide
TELENZEPINE 2HCLTelenzepine hydrochloride(+/-)-TelenzepineNCGC00015987-053-Methyl-4-(2-(4-methylpiperazin-1-yl)acetyl)-4,9-dihydro-10H-benzo[b]thieno[3,4-e][1,4]diazepin-10-one3-methyl-4-[(4-methylpiperazin-1-yl)acetyl]-4,9-dihydro-10h-thieno[3,4-b][1,5]benzodiazepin-10-oneTelenzepinum [Latin]Telenzepino [Spanish]
Database identifiers
- CAS
80880-90-6- PubChem CID
- 5387
- DTXSID
DTXSID5045209- ChEMBL
CHEMBL1256762、CHEMBL253978- ChEBI
CHEBI:92110- UNII
- 0990EG3K10
- Nikkaji
- J33.100G、J385.387J、J385.388H、J473.371A、J473.372J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 552
Experimental & physicochemical properties
Collision Cross Section178.26 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Physicochemical properties
- Melting point
- 263 · 263-264°
- Boiling point
- 544.7 · 544.7±50.0 °C(Predicted)
- Density
- 1.281 · 1.281±0.06 g/cm3(Predicted)
- solubility
- 2 O: · H2O: >10 mg/mL
- pka
- 12.48 · 12.48±0.20(Predicted)
- form
- solid
- color
- white
- FDA UNII
- 990 EG3K10 · 0990EG3K10
- WGK Germany
- 3 · 3
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
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationAgents that inhibit the actions of the parasympathetic nervous system. The major group of drugs used therapeutically for this purpose is the MUSCARINIC ANTAGONISTS.
Applications
UsesTelenzepine is an antimuscarinic agent with Kis of 0.94 nM (M1 mAChR) and 17.8 nM (M2 mAChR) binding to muscarinic receptors. Telenzepine effectively blocks synaptic transmission promoted by muscarinic or M1 receptor agonists. Thus, Telenzepine can reduce the amplitude of extracellular slow excitatory postsynaptic potentials (EC50=38 nM) and slow inhibitory postsynaptic potentials (EC50=253 nM)[1].
Suppliers5 total
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南京玖思诺生物医药技术有限公司19822625399 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Additional notes
DefinitionChEBI: 1-methyl-10-[2-(4-methyl-1-piperazinyl)-1-oxoethyl]-5H-thieno[3,4-b][1,5]benzodiazepin-4-one is a benzodiazepine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…