YM 26734 - ≥95%(HPLC) , CAS No.144337-18-8

CAS: 144337-18-8 Cat. No.: Y288422 分子式: C₄₅H₆₂O₈ 分子量: 730.97 PubChem CID: 9853400

GRADE & PURITY ≥95%(HPLC)

Synonyms

AS-80369 | A899245 | 1-Dodecanone, 1,1'-(5-(3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl)-2,4,6-trihydroxy-1,3-phenylene)bis- | YM 26734 | F90262 | YM26734 | YM-26734 | NCGC00387064-05 | 1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

 Product Description：

YM-26734 is a rabbit platelet sPLA2 inhibitor that has been used to ameliorate local inflammatory responses in TPA-induced mouse ear edema.

Specifications

同義語

AS-80369 | A899245 | 1-Dodecanone, 1,1'-(5-(3,4-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-2H-1-benzopyran-4-yl)-2,4,6-trihydroxy-1,3-phenylene)bis- | YM 26734 | F90262 | YM26734 | YM-26734 | NCGC00387064-05 | 1-{3-Dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4

仕様と純度

≥95%(HPLC)

生化学的・生理学的メカニズム

Competitive inhibitor of secretory phospholipase A2(sPLA2) that exhibits a broad inhibitory profile to several sPLA2s (IC50values are 0.2, 1, 1, 1 and 3μM for sPLA2-X, -IIA, -IID, -V and -IIE respectively). Displays minimal activity at sPLA2-IIF and no ac

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。

アクションタイプ

INHIBITOR

純度

≥95%(HPLC)

名前と識別子

カノニカル・スマイル

CCCCCCCCCCCC(=O)C1=C(C(=C(C(=C1O)C2CC(OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O)C(=O)CCCCCCCCCCC)O

IUPAC Name

1-[3-dodecanoyl-2,4,6-trihydroxy-5-[7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]phenyl]dodecan-1-one

InChIKey

CEJAYJCUSZHYDS-UHFFFAOYSA-N

INCHI

1S/C45H62O8/c1-3-5-7-9-11-13-15-17-19-21-36(48)41-43(50)40(44(51)42(45(41)52)37(49)22-20-18-16-14-12-10-8-6-4-2)35-30-38(31-23-25-32(46)26-24-31)53-39-29-33(47)27-28-34(35)39/h23-29,35,38,46-47,50-52H,3-22,30H2,1-2H3

異性体SMILES

CCCCCCCCCCCC(=O)C1=C(C(=C(C(=C1O)C2CC(OC3=C2C=CC(=C3)O)C4=CC=C(C=C4)O)O)C(=O)CCCCCCCCCCC)O

PubChem CID

9853400

分子量

730.97

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Flavonoids
• Subclass: Hydroxyflavonoids
• Intermediate Tree Nodes: Not available
• Direct Parent: 7-hydroxyflavonoids
• Alternative Parents: 4'-hydroxyflavonoids Neoflavans Flavans Alkyl-phenylketones Acylphloroglucinols and derivatives Butyrophenones 1-benzopyrans Aryl alkyl ketones Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Vinylogous acids Oxacyclic compounds Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 4'-hydroxyflavonoid - 7-hydroxyflavonoid - Flavan - Neoflavan - Neoflavonoid skeleton - Alkyl-phenylketone - Butyrophenone - Acylphloroglucinol derivative - Benzopyran - Chromane - 1-benzopyran - Phenylketone - Phloroglucinol derivative - Benzenetriol - Benzoyl - Aryl ketone - Aryl alkyl ketone - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Vinylogous acid - Ketone - Polyol - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as 7-hydroxyflavonoids. These are flavonoids that bear one hydroxyl group at the C-7 position of the flavonoid skeleton.
• 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）

PLA2G10 Tchem Group 10 secretory phospholipase A2 (1 Activities)

Discover Target: PLA2G10

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

PLA2G2A Tchem Phospholipase A2, membrane associated (2 Activities)

Discover Target: PLA2G2A

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

PLA2G5 Tchem Calcium-dependent phospholipase A2 (1 Activities)

Discover Target: PLA2G5

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

PLA2G2A Tchem Phospholipase A2 group IIA (1079 Activities)

Discover Target: PLA2G2A

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

PLA2G10 Tchem Group X secretory phospholipase A2 (219 Activities)

Discover Target: PLA2G10

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

PLA2G5 Tchem Phospholipase A2 group V (238 Activities)

Discover Target: PLA2G5

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: Solvent:DMSO, Max Conc. mg/mL: 73.1, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 73.1, Max Conc. mM: 100
• 分子量: 731.000 g/mol
• XLogP3: 14.300
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 24
• Exact Mass: 730.444 Da
• Monoisotopic Mass: 730.444 Da
• Topological Polar Surface Area: 145.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 980.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1