MRS1067 - Moligand™ , Antagonist of A 3 receptor, CAS No.70460-45-6, Antagonist of A 3 receptor

CAS: 70460-45-6 Cat. No.: M612029 PubChem CID: 252716

GRADE & PURITY Moligand™

Synonyms

SCHEMBL2962179 | 3,6-Dichloro-2-(2-isopropoxy-4-methyl-phenyl)-chromen-4-one | 3,6-dichloro-2'-(isopropoxy)-4'-methylflavone | PDSP2_000262 | 3,6-dichloro-2'-isopropyloxy-4'-methylflavone | 3,6-dichloro-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one | Q

Storage

Room temperature

Specifications

同義語

SCHEMBL2962179 | 3,6-Dichloro-2-(2-isopropoxy-4-methyl-phenyl)-chromen-4-one | 3,6-dichloro-2'-(isopropoxy)-4'-methylflavone | PDSP2_000262 | 3,6-dichloro-2'-isopropyloxy-4'-methylflavone | 3,6-dichloro-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one | Q

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Antagonist of A 3 receptor

名前と識別子

カノニカル・スマイル

CC(Oc1cc(C)ccc1c1oc2ccc(cc2c(=O)c1Cl)Cl)C

IUPAC Name

3,6-dichloro-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one

InChIKey

PWGZOUCWGRTPSM-UHFFFAOYSA-N

INCHI

1S/C19H16Cl2O3/c1-10(2)23-16-8-11(3)4-6-13(16)19-17(21)18(22)14-9-12(20)5-7-15(14)24-19/h4-10H,1-3H3

異性体SMILES

CC1=CC(=C(C=C1)C2=C(C(=O)C3=C(O2)C=CC(=C3)Cl)Cl)OC(C)C

PubChem CID

252716

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Flavonoids
      • Subclass Flavones

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Flavonoids
• Subclass: Flavones
• Intermediate Tree Nodes: Not available
• Direct Parent: Flavones
• Alternative Parents: Chromones Phenoxy compounds Phenol ethers Toluenes Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flavone - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyranone - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Ether - Organoheterocyclic compound - Oxacycle - Organochloride - Organohalogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as flavones. These are flavonoids with a structure based on the backbone of 2-phenylchromen-4-one (2-phenyl-1-benzopyran-4-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

関連ターゲット（人間）

ADORA3 Tchem Adenosine receptor A3 (2 Activities)

Discover Target: ADORA3

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

ADORA1 Tclin Adenosine A1 receptor (17603 Activities)

Discover Target: ADORA1

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

ADORA2A Tclin Adenosine A2a receptor (16305 Activities)

Discover Target: ADORA2A

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

ADORA3 Tchem Adenosine A3 receptor (15931 Activities)

Discover Target: ADORA3

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

作用メカニズム

化学的性質と物理的性質

• 分子量: 363.200 g/mol
• XLogP3: 5.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 362.048 Da
• Monoisotopic Mass: 362.048 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 24
• 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

よくある質問

How should this product be stored?

Store at room temperature.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 70460-45-6. InChIKey PWGZOUCWGRTPSM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.