C₇/3-phth - Moligand™ , Allosteric modulator of M 2 receptor, CAS No.C609610, Allosteric modulator of M 2 receptor

CAS: C609610 Cat. No.: C609610 PubChem CID: 168057

GRADE & PURITY Moligand™

Synonyms

GTPL7634 | C7-3-Phthalimido-propyl | N~1~,N~7~-Bis[3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propyl]-N~1~,N~1~,N~7~,N~7~-tetramethylheptane-1,7-bis(aminium) | BDBM50074558 | DTXSID90945335 | C7/3-phth | Q27076921 | Bis-{3-(1,3-dioxo-2,3-dihydro-1H-2-isoin

Storage

Room temperature

Specifications

Synonyms

GTPL7634 | C7-3-Phthalimido-propyl | N~1~, N~7~-Bis[3-(1, 3-dioxo-1, 3-dihydro-2H-isoindol-2-yl)propyl]-N~1~, N~1~, N~7~, N~7~-tetramethylheptane-1, 7-bis(aminium) | BDBM50074558 | DTXSID90945335 | C7/3-phth | Q27076921 | Bis-{3-(1, 3-dioxo-2, 3-dihydro-1H-2-isoin

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of M 2 receptor

Names and Identifiers

• Canonical Smiles: O=C1N(CCC[N+](CCCCCCC[N+](CCCN2C(=O)c3c(C2=O)cccc3)(C)C)(C)C)C(=O)c2c1cccc2
• IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)propyl-[7-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]heptyl]-dimethylazanium
• InChIKey: OSALRKZRWVYPFR-UHFFFAOYSA-N
• INCHI: 1S/C33H46N4O4/c1-36(2,24-14-20-34-30(38)26-16-8-9-17-27(26)31(34)39)22-12-6-5-7-13-23-37(3,4)25-15-21-35-32(40)28-18-10-11-19-29(28)33(35)41/h8-11,16-19H,5-7,12-15,20-25H2,1-4H3/q+2
• Isomeric SMILES: C[N+](C)(CCCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O
• PubChem CID: 168057

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines
        • Level5 Isoindolones
          • Level6 Phthalimides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Isoindolones
• Direct Parent: Phthalimides
• Alternative Parents: Isoindoles N-substituted carboxylic acid imides Benzenoids Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic salts Organic oxides Hydrocarbon derivatives Amines Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phthalimide - Isoindole - Carboxylic acid imide, n-substituted - Benzenoid - Tetraalkylammonium salt - Quaternary ammonium salt - Carboxylic acid imide - Azacycle - Carboxylic acid derivative - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic cation - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (1 Activities)

Discover Target: CHRM2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)