ST 034307 - Moligand™, ≥98%(HPLC) , Inhibitor of adenylyl cyclase 1, CAS No.133406-29-8, Inhibitor of adenylyl cyclase 1

CAS: 133406-29-8 Cat. No.: S288789 Peso molecular: 297.95 PubChem CID: 867466

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

6-Chloro-2-(trichloromethyl)-4H-1-benzopyran-4-one | ST034307

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

6-Chloro-2-(trichloromethyl)-4H-1-benzopyran-4-one | ST034307

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Adenylyl cyclase 1 (AC1) inhibitor (IC50= 2.3 μM). Exhibits some selectivity for AC1 over other AC isoforms, with no significant activity against AC8. Inhibits Ca2+/calmodulin-stimulated cAMP accumulation in hippocampal homogenates. Enhances μ opioid rece

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Mecanismo de acción

Inhibitor of adenylyl cyclase 1

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504760297
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760297
• Sonrisas canónicas: C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(Cl)(Cl)Cl
• IUPAC Name: 6-chloro-2-(trichloromethyl)chromen-4-one
• InChIKey: NTDHYMSVCBGQJF-UHFFFAOYSA-N
• INCHI: 1S/C10H4Cl4O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-4H
• Isómeros SMILES: C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(Cl)(Cl)Cl
• PubChem CID: 867466
• Peso molecular: 297.95

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Benzopyrans
      • Subclass 1-benzopyrans

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Benzopyrans
• Subclass: 1-benzopyrans
• Intermediate Tree Nodes: Not available
• Direct Parent: Chromones
• Alternative Parents: Pyranones and derivatives Benzenoids Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Chromone - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Heteroaromatic compound - Oxacycle - Organooxygen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl chloride - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as chromones. These are compounds containing a benzopyran-4-one moiety.
• 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

Objetivos asociados (humanos)

ADCY1 Tchem Adenylate cyclase type 1 (1 Activities)

Discover Target: ADCY1

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

ADCY3 Tbio Adenylate cyclase type III (24 Activities)

Discover Target: ADCY3

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

ADCY1 Tchem Brain adenylate cyclase 1 (372 Activities)

Discover Target: ADCY1

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

Objetivos asociados (no humanos)

Adcy2 Adenylate cyclase type II (26 Activities)

Discover Target: Adcy2

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 29.8, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.96, Max Conc. mM: 20
• Peso molecular: 297.900 g/mol
• XLogP3: 3.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 297.894 Da
• Monoisotopic Mass: 295.897 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 334.000
• 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