7-[(4-chlorophenyl)methyl-[2-(diethylamino)ethyl]amino]-2-oxochromene-3-carboximidamide - Moligand™ , Channel blocker of ASIC1, CAS No.C609322, Channel blocker of ASIC1

CAS: C609322 Cat. No.: C609322 PubChem CID: 122177620

GRADE & PURITY Moligand™

Synonyms

compound 5b

Storage

Room temperature

Specifications

Synonyms

compound 5b

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

CHANNEL BLOCKER

Mechanism of action

Channel blocker of ASIC1

Names and Identifiers

• Canonical Smiles: CCN(CCN(c1ccc2c(c1)oc(=O)c(c2)C(=N)N)Cc1ccc(cc1)Cl)CC
• IUPAC Name: 7-[(4-chlorophenyl)methyl-[2-(diethylamino)ethyl]amino]-2-oxochromene-3-carboximidamide
• InChIKey: VVYLUODGYRRACW-UHFFFAOYSA-N
• INCHI: 1S/C23H27ClN4O2/c1-3-27(4-2)11-12-28(15-16-5-8-18(24)9-6-16)19-10-7-17-13-20(22(25)26)23(29)30-21(17)14-19/h5-10,13-14H,3-4,11-12,15H2,1-2H3,(H3,25,26)
• Isomeric SMILES: CCN(CC)CCN(CC1=CC=C(C=C1)Cl)C2=CC3=C(C=C2)C=C(C(=O)O3)C(=N)N
• PubChem CID: 122177620

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Phenylmethylamines Benzylamines Dialkylarylamines Pyranones and derivatives Aralkylamines Chlorobenzenes Aryl chlorides Heteroaromatic compounds Trialkylamines Lactones Oxacyclic compounds Carboxamidines Carboximidamides Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Benzylamine - Phenylmethylamine - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Chlorobenzene - Halobenzene - Pyranone - Aralkylamine - Pyran - Aryl chloride - Benzenoid - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Lactone - Carboximidamide - Oxacycle - Organoheterocyclic compound - Carboxylic acid amidine - Amidine - Hydrocarbon derivative - Organopnictogen compound - Amine - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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)

ASIC1 Tchem Acid-sensing ion channel 1 (2 Activities)

Discover Target: ASIC1

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

ASIC3 Tchem Amiloride-sensitive cation channel 3 (217 Activities)

Discover Target: ASIC3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ASIC1 Tchem Amiloride-sensitive cation channel 2, neuronal (57 Activities)

Discover Target: ASIC1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hippocampus (57 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Asic1 Acid-sensing ion channel 1 (41 Activities)

Discover Target: Asic1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action