Sdz nvi-085
Basic information
- CAS
104195-17-7- Standard SMILES
COc1ccc(SC)c2c1C[C@@H]1[C@@H](C2)OCCN1C- InChIKey
SLMAGYSTRWJTMF-TZMCWYRMSA-N- Molecular formula
- C15H21NO2S
- Average molar mass
- 279.4 g/mol
- Monoisotopic mass
- 279.12929991
Overview
a potent anticataplectic agent that may act by stimulating an alpha1-adrenoceptor subtype
Names & identifiers
- Preferred name
- Sdz nvi-085
- IUPAC
- (4aR,10aR)-6-methoxy-4-methyl-9-methylsulfanyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzoxazine
- English name
- SDZ NVI-085
- Molecular formula
- C15H21NO2S
- Molecular weight
- 279.4
Names & synonyms
Sdz-nvi-085104195-17-7Sdz nvi 085Sdz nvi-085FX4HRF2VTTDTXSID601463372H-Naphth(2,3-b)-1,4-oxazine, 3,4,4a,5,10,10a-hexahydro-6-methoxy-4-methyl-9-(methylthio)-, (4aR-trans)-2H-Naphth[2,3-b]-1,4-oxazine, 3,4,4a,5,10,10a-hexahydro-6-methoxy-4-methyl-9-(methylthio)-, (4aR-trans)-RefChem:182100DTXCID4068828(4aR,10aR)-6-methoxy-4-methyl-9-methylsulfanyl-2,3,4a,5,10,10a-hexahydrobenzo[g][1,4]benzoxazine3,4,4a,5,10,10a-Hexahydro-6-methoxy-4-methyl-9-methylthio-2H-naphth(2,3-b)-1,4-oxazine
Show more names
naphtoxazine[4aR,(-)]-3,4,4aβ,5,10,10aα-Hexahydro-6-methoxy-4-methyl-9-methylthio-2H-naphth[2,3-b]-1,4-oxazine2H-Naphth[2,3-b]-1,4-oxazine, 3,4,4a,5,10,10a-hexahydro-6-methoxy-4-methyl-9-(methylthio)-, (4aR,10aR)-
SLMAGYSTRWJTMF-TZMCWYRMSA-Nsdznvi-085SCHEMBL194836CHEMBL337879orb1699337AKOS040749472(4aR,10aR)-6-methoxy-4-methyl-9-(methylthio)-3,4,4a,5,10,10a-hexahydro-2H-naphtho[2,3-b][1,4]oxazineHY-19036
Database identifiers
- CAS
104195-17-7- PubChem CID
- 128503
- DTXSID
DTXSID60146337- ChEMBL
CHEMBL337879- UNII
- FX4HRF2VTT
- Nikkaji
- J442.507C
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 47 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 315
Physicochemical properties
- Boiling point
- 417.6 · 417.6±45.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 7.45 · 7.45±0.20(Predicted)
Chemistry & industry
Applications
DescriptionSDZ-NVI-085, also known as Naphtoxazine, is an α1 adrenergic receptor agonist potentially for the treatment of cognitive disorders and major depressive disorder. SDZ-NVI-085 behaves as a competitive antagonist of 5-hydroxytryptamine. SDZ-NVI-085 shifted 5-HT concentration-effect curves to the right, in a concentration-dependent manner, and Schild regression gave a pA2 estimate of 8.0.
UsesSDZ NVI 085 is a compound with CNS stimulatory effects, primarily through the α1-adrenoceptor subtype, with anti-cataplexy and anti-stroke activities. SDZ NVI 085 also has a significant alertness effect and can be used to study other types of excessive sleepiness[1].
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2 records
Compound notes
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