ChemicalBook--->CAS DataBase List--->1005334-57-5

1005334-57-5

1005334-57-5 Structure

1005334-57-5 Structure
IdentificationBack Directory
[Name]

CVT-10216
[CAS]

1005334-57-5
[Synonyms]

CS-1424
CVT-10216
GS 455534
CVT-10216;CVT 10216;CVT10216
3-(((3-(4-(Methylsulfonamido)phenyl)-4-oxo-4H-chromen-7-yl)oxy)methyl)benzoic acid
3-[[[3-[4-[(Methylsulfonyl)amino]phenyl]-4-oxo-4H-chromen-7-yl]oxy]methyl]benzoic acid
3-[[[3-[4-[(Methylsulfonyl)amino]phenyl]-4-oxo-4H-1-benzopyran-7-yl]oxy]methyl]-benzoic acid
Benzoic acid, 3-[[[3-[4-[(methylsulfonyl)amino]phenyl]-4-oxo-4H-1-benzopyran-7-yl]oxy]methyl]-
[Molecular Formula]

C24H19NO7S
[MDL Number]

MFCD18072197
[MOL File]

1005334-57-5.mol
[Molecular Weight]

465.48
Chemical PropertiesBack Directory
[Boiling point ]

714.2±70.0 °C(Predicted)
[density ]

1.468±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble to 100 mM in DMSO and to 50 mM in 1eq. NaOH
[form ]

Powder
[pka]

4.13±0.10(Predicted)
[color ]

White to off-white
[InChI]

1S/C24H19NO7S/c1-33(29,30)25-18-7-5-16(6-8-18)21-14-32-22-12-19(9-10-20(22)23(21)26)31-13-15-3-2-4-17(11-15)24(27)28/h2-12,14,25H,13H2,1H3,(H,27,28)
[InChIKey]

YYOOFJZTRCPVFD-UHFFFAOYSA-N
[SMILES]

O=C(O)C1=CC(COC2=CC=C3C(OC=C(C4=CC=C(NS(C)(=O)=O)C=C4)C3=O)=C2)=CC=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P264-P270-P301+P312-P330-P501
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

3-[[[3-[4-[(Methylsulfonyl)amino]phenyl]-4-oxo-4H-chromen-7-yl]oxy]methyl]benzoic Acid is a highly selective reversible aldehyde dehydrogenase 2 (ALDH-2) inhibitor that reduce alcohol and cocaine intake in rats. It also has anxiolytic properties as well as reduces excessive alcohol drinking.
[Biological Activity]

CVT-10216 is a selective reversible inhibitor of aldehyde dehydrogenase-2 (ALDH-2), thereby inhibiting dopamine synthesis. CVT-10216 is active in suppressing alcohol and cocaine use, and anxiety.', 'CVT-10216 possesses unequivocal anxiolytic properties. It will not affect the suppression of locomotor activity by mCPP (m-chlorophenylpiperazine).
[in vivo]

CVT-10216 (intraperitoneal?injection; 3.75, 7.5, or 15 mg/kg) exhibits a increase in social interaction as a dose-dependent manner, punctuated by a 2-fold increase in social interaction after 15 mg/kg in Fawn-Hooded rats[1]. CVT-10216 (intraperitoneal?injection; 3.75 or 15 mg/kg) are determined 5 h into the third withdrawal.It has the anxiolytic effect of 15 mg/kg CVT-10216 in this model, but has no significant effects on locomotor activity[1].

[IC 50]

ALDH2
[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

CVT-10216(1005334-57-5)1HNMR
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