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VU 0238429 - 10mM in DMSO, high purity , CAS No.1160247-92-6, Allosteric modulator of M 5 receptor
Selective, positive allosteric M 5 modulator
Basic Description
Synonyms
1160247-92-6 | VU 0238429 | VU0238429 | 1-(4-methoxybenzyl)-5-(trifluoromethoxy)indoline-2,3-dione | 1-(4-METHOXYBENZYL)-5-TRIFLUOROMETHOXYISATIN | 1H-Indole-2,3-dione, 1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)- | VU-0238429 | ZH1ZWF5Q3P | CHEMBL466253 | 1-[(4-Metho
Specifications & Purity
Moligand™, 10mM in DMSO
Biochemical and Physiological Mechanisms
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 Alzheimer′s disease
Storage Temp
Store at -80°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
ALLOSTERIC MODULATOR
Mechanism of action
Allosteric modulator of M 5 receptor
Product Description
Store at +4°C. The product can be stored for up to 12 months.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Indoles and derivatives
Alternative Parents
Phenoxy compounds Methoxybenzenes Aryl ketones Anisoles Alkyl aryl ethers Vinylogous amides Tertiary carboxylic acid amides Trihalomethanes Lactams Azacyclic compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Carboxamide group - Trihalomethane - Ketone - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Halomethane - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indoles and derivatives. These are organic compounds containing an indole, which is a bicyclic ring system made up of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-[(4-methoxyphenyl)methyl]-5-(trifluoromethoxy)indole-2,3-dione
INCHI
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
COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O
Isomeric SMILES
COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3)OC(F)(F)F)C(=O)C2=O
PubChem CID
42633508
Molecular Weight
351.28
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
351.280 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Rotatable Bond Count
4
Exact Mass
351.072 Da
Monoisotopic Mass
351.072 Da
Topological Polar Surface Area
55.800 Ų
Heavy Atom Count
25
Formal Charge
0
Complexity
517.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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