Basic information
- CAS
2455450-63-0- Standard SMILES
Cl.Cl.OCCCCC#Cc1cncc(OC[C@@H]2CCN2)c1- InChIKey
WRSKKJWUXISFFU-UTLKBRERSA-N- Molecular formula
- C15H22Cl2N2O2
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.1058333
Names & identifiers
- Preferred name
- Sazetidine A dihydrochloride
- IUPAC
- 6-[5-[[(2S)-azetidin-2-yl]methoxy]-3-pyridinyl]hex-5-yn-1-ol;dihydrochloride
- English name
- 5-Hexyn-1-ol, 6-[5-[(2S)-2-azetidinylmethoxy]-3-pyridinyl]-, hydrochloride (1:2)
- Molecular weight
- 0
Names & synonyms
Sazetidine A dihydrochloride1197329-42-26-[5-[(2S)-2-AZETIDINYLMETHOXY]-3-PYRIDINYL]-5-HEXYN-1-OL DIHYDROCHLORIDE6-[5-[[(2S)-azetidin-2-yl]methoxy]pyridin-3-yl]hex-5-yn-1-ol;dihydrochloride820231-95-6Sazetidine A 2HCl2455450-63-0Sazetidine-A dihydrochloride(S)-6-(5-(Azetidin-2-ylmethoxy)pyridin-3-yl)hex-5-yn-1-ol dihydrochloride38SPN92UCWSazetidine A (dihydrochloride)SCHEMBL29454390
Show more names
GLXC-02376AKOS024457269MS-33109CS-01207765-Hexyn-1-ol, 6-[5-[(2S)-2-azetidinylmethoxy]-3-pyridinyl]-, hydrochloride (1:2)6-(5-(((S)-azetidin-2-yl)methoxy)pyridin-3-yl)hex-5-yn-l-ol dihydrochloride
Database identifiers
- CAS
2455450-63-0- PubChem CID
- 56972183
- UNII
- 38SPN92UCW
Properties
Computed structural properties
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 321
Physicochemical properties
- FDA UNII
- 38 SPN92UCW · 38SPN92UCW
Chemistry & industry
Applications
UsesSazetidine A dihydrochloride is a potent ligand for the α4β2 nAChR, with high binding affinity and selectivity for this subtype. Sazetidine A dihydrochloride exhibits favorable pharmacological properties and may contribute to research targeting nicotinic receptor-related diseases. Sazetidine A dihydrochloride has been mentioned in studies investigating the binding affinity of various analogs, highlighting its importance in understanding the nAChR ligand subtype selectivity[1].
Suppliers1 total
R&D Systems, Inc[email protected]
Related reactions
0 records
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Compound notes
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