CYM50358 - Moligand™, ≥98% , CAS No.1314212-39-9

CAS: 1314212-39-9 Cat. No.: C649203 分子式: C₂₀H₁₈Cl₂N₂O₂ 分子量: 389.28 EC番号: 808-352-4 PubChem CID: 53358422

GRADE & PURITY Moligand™, ≥98%

Synonyms

EX-A5683 | GTPL10312 | CYM 50358 | N-(4-(aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide | AKOS040759830 | HY-136462 | NCGC00379182-01 | NCGC00379182-03 | CYM50358, >=98% (HPLC) | NCGC00379182-02 | CYM50358 | CYM-50358 | MS-2646

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

CYM50358 is a potent and selective S1PR4 antagonist, with an IC50 of 25 nM. CYM50358 can be used for the research of influenza infection.

Specifications

同義語

EX-A5683 | GTPL10312 | CYM 50358 | N-(4-(aminomethyl)-2,6-dimethylphenyl)-5-(2,5-dichlorophenyl)furan-2-carboxamide | AKOS040759830 | HY-136462 | NCGC00379182-01 | NCGC00379182-03 | CYM50358, >=98% (HPLC) | NCGC00379182-02 | CYM50358 | CYM-50358 | MS-2646

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

純度

≥98%

名前と識別子

• カノニカル・スマイル: CC1=CC(=CC(=C1NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C)CN
• IUPAC Name: N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide
• InChIKey: QWJOPXDAQCDRRM-UHFFFAOYSA-N
• INCHI: 1S/C20H18Cl2N2O2/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22/h3-9H,10,23H2,1-2H3,(H,24,25)
• 異性体SMILES: CC1=CC(=CC(=C1NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C)CN
• WGKドイツ: 3
• PubChem CID: 53358422
• 分子量: 389.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Furanilides
            • Level7 2-furanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides - Furanilides
• Direct Parent: 2-furanilides
• Alternative Parents: m-Xylenes Phenylmethylamines 2-heteroaryl carboxamides Benzylamines Furoic acid and derivatives Dichlorobenzenes Aralkylamines Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Organooxygen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-furanilide - 2-heteroaryl carboxamide - Furoic acid or derivatives - 1,4-dichlorobenzene - M-xylene - Xylene - Benzylamine - Phenylmethylamine - Halobenzene - Chlorobenzene - Aralkylamine - Aryl chloride - Aryl halide - Heteroaromatic compound - Furan - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Amine - Primary aliphatic amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as 2-furanilides. These are aromatic heterocyclic compounds contaning a furan ring that is substituted at the 2-position with an anilide.
• 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）

S1PR4 Tclin Sphingosine 1-phosphate receptor 4 (1 Activities)

Discover Target: S1PR4

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

S1PR4 Tclin Sphingosine 1-phosphate receptor Edg-6 (1041 Activities)

Discover Target: S1PR4

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

S1PR3 Tclin Sphingosine 1-phosphate receptor Edg-3 (2543 Activities)

Discover Target: S1PR3

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

S1PR2 Tchem Sphingosine 1-phosphate receptor Edg-5 (1593 Activities)

Discover Target: S1PR2

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

S1PR1 Tclin Sphingosine 1-phosphate receptor Edg-1 (5806 Activities)

Discover Target: S1PR1

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

S1PR5 Tclin Sphingosine 1-phosphate receptor Edg-8 (813 Activities)

Discover Target: S1PR5

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

関連ターゲット（非人間）

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

• 溶解度: DMSO : 125 mg/mL (321.11 mM; Need ultrasonic)
• 分子量: 389.300 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 388.075 Da
• Monoisotopic Mass: 388.075 Da
• Topological Polar Surface Area: 68.300 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 480.000
• 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