Basic information
- CAS
101626-70-4- Standard SMILES
C=CCN1CCc2nc(N)sc2CC1- InChIKey
DHSSDEDRBUKTQY-UHFFFAOYSA-N- Molecular formula
- C10H15N3S
- Average molar mass
- 209.31 g/mol
- Monoisotopic mass
- 209.09866866
Overview
6-prop-2-enyl-4,5,7,8-tetrahydrothiazolo[4,5-d]azepin-2-amine is an azepine.
Names & identifiers
- Preferred name
- Talipexole
- IUPAC
- 6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amine
- English name
- TALIPEXOLE
- Molecular formula
- C10H15N3S
- Molecular weight
- 209.31
Names & synonyms
Talipexole101626-70-4TalipexolTalipexolumDTXSID80463217AM2J46Z1YBHT920DTXCID60263216-(prop-2-en-1-yl)-4H,5H,6H,7H,8H-[1,3]thiazolo[4,5-d]azepin-2-amine6-(prop-2-en-1-yl)-4H,5H,6H,7H,8H-(1,3)thiazolo(4,5-d)azepin-2-amine4H-Thiazolo(4,5-d)azepin-2-amine, 5,6,7,8-tetrahydro-6-(2-propenyl)-, dihydrochlorideRefChem:187312
Show more names
Talipexolum [latin]Talipexol [spanish]TALIPEXOLE USP/EP/BP6-Allyl-2-amino-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepine6-Allyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-d]azepin-2-amine
BHT 9202-amino-6-allyl-5,6,7,8-tetrahydro-4H-thiazolo-(5,4-d)azepin-dihydrochloride6-allyl-2-amino-5,6,7,8-tetrahydro-4H-thiazolo(4,5-d)azepin dihydrochlorideB-HT 920Talipexole [INN]6-prop-2-enyl-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-2-amineDomin6-allyl-5,6,7,8-tetrahydro-4H-thiazolo[4,5-d]azepin-2-amine
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 210
Experimental & physicochemical properties
LogP1.48
Physicochemical properties
- Boiling point
- 364.6 · 364.6±37.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- Soluble in DMSO
- form
- Powder
- pka
- 7.22 · 7.22±0.20(Predicted)
- FDA UNII
- 7 AM2J46Z1Y · 7AM2J46Z1Y
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Drugs that selectively bind to and activate alpha adrenergic receptors.
Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.
Drugs that bind to and activate dopamine receptors.
Applications
DescriptionDomin was launched in Japan for Parkinson's disease. The compound is readily accessible in two steps from I-allylhexahydro-4H-azepin4-one. Its antiparkinson activity resides in the fact that talipexole is a selective agonist for presynaptic dopamine D2 receptors with no D1 receptor activity. It is a clonidine-like α2-adrenoreptor agonist and has fewer GI side effects than bromocriptine the most widely used dopamine angonist. Also it is 70 times more potent than bromocriptine and has a more rapid onset of action. In addition to its anti-tremor activity there was a sedative effect but no emesis. The latter probably a result of talipexole's 5-HT3 receptor antagonistic activity. Its metabolites have no biological activity, there was no development of tolerence and its effect could be enhanced by L-dopa.
Upstream & downstream products
Upstream raw materials
Suppliers19 total
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Related reactions
0 records
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Compound notes
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