ChemicalBook--->CAS DataBase List--->1160247-92-6

1160247-92-6

1160247-92-6 Structure

1160247-92-6 Structure
IdentificationBack Directory
[Name]

1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin
[CAS]

1160247-92-6
[Synonyms]

VU 0238429
1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin
1-(4-Methoxy-benzyl)-5-trifluoromethoxy-1H-indole-2,3-dione
1-[(4-Methoxyphenyl)methyl]-5-(trifluoromethoxy)-1H-indole-2,3-dione
1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)-
[Molecular Formula]

C17H12F3NO4
[MDL Number]

MFCD16618396
[MOL File]

1160247-92-6.mol
[Molecular Weight]

351.28
Chemical PropertiesBack Directory
[Boiling point ]

459.7±55.0 °C(Predicted)
[density ]

1.432±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[solubility ]

DMSO: ≥20mg/mL
[form ]

powder
[pka]

-3.68±0.20(Predicted)
[color ]

orange
[InChI]

1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
[InChIKey]

CKLGZXFOLMHCMC-UHFFFAOYSA-N
[SMILES]

COc1ccc(CN2C(=O)C(=O)c3cc(OC(F)(F)F)ccc23)cc1
Safety DataBack Directory
[Hazard Codes ]

Xi,N
[Risk Statements ]

36-50/53
[Safety Statements ]

26-60-61
[RIDADR ]

UN 3077 9 / PGIII
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Aquatic Acute 1
Eye Irrit. 2
Hazard InformationBack Directory
[Uses]

VU 0238429 is a selective positive allosteric modulator of M5 receptors.
[Biological Activity]

VU0238429 is a selective muscarinic acetylcholine receptor 5 (M5) positive allosteric modulator; causes leftward shift in acetylcholine potency. M5 is thought to regulate cerebral blood flow, and activation of M5 may be therapeutic for Alzheimerμs disease. VU0238429 is the first reported M5-selective small molecule of any kind. It is >30-fold more selective for M5 over M1, M2, M3, and M4.
[IC 50]

mAChR5
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

1-(4-Methoxybenzyl)-5-trifluoromethoxyisatin(1160247-92-6)1HNMR
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