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 Molecular Weight: 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

Synonyms

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

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°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

INHIBITOR

Mechanism of action

Inhibitor of adenylyl cyclase 1

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504760297
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760297
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC2=C(C=C1Cl)C(=O)C=C(O2)C(Cl)(Cl)Cl
• PubChem CID: 867466
• Molecular Weight: 297.95

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 29.8, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 5.96, Max Conc. mM: 20
• Molecular Weight: 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