Pterosin B - ≥99% , CAS No.34175-96-7

CAS: 34175-96-7 Cat. No.: P647021 分子式: C₁₄H₁₈O₂ 分子量: 218.29 PubChem CID: 115049

GRADE & PURITY ≥99%

Synonyms

AKOS032949095 | DTXSID70955715 | 1-Indanone, 6-(2-hydroxyethyl)-2,5,7-trimethyl-, (-)- | BI 2 | SMR001397206 | MS-23206 | HY-N1570 | 1H-Inden-1-one, 2,3-dihydro-6-(2-hydroxyethyl)-2,5,7-trimethyl-, (R)- | HMS2267D21 | (2R)-6-(2-hydroxyethyl)-2,5,7-trimeth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Pterosin B, a indanone found in bracken fern ( Pteridium aquilinum ), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3.

Form:Solid

Specifications

同義語

AKOS032949095 | DTXSID70955715 | 1-Indanone, 6-(2-hydroxyethyl)-2,5,7-trimethyl-, (-)- | BI 2 | SMR001397206 | MS-23206 | HY-N1570 | 1H-Inden-1-one, 2,3-dihydro-6-(2-hydroxyethyl)-2,5,7-trimethyl-, (R)- | HMS2267D21 | (2R)-6-(2-hydroxyethyl)-2,5,7-trimeth

仕様と純度

≥99%

生化学的・生理学的メカニズム

Pterosin B, a indanone found in bracken fern ( Pteridium aquilinum ), is an inhibitor of salt-inducible kinase 3 (Sik3) signaling. Pterosin B prevents chondrocyte hypertrophy and osteoarthritis in mice by inhibiting Sik3.

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

≥99%

名前と識別子

• カノニカル・スマイル: CC1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C
• IUPAC Name: (2R)-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one
• InChIKey: SJNCSXMTBXDZQA-SECBINFHSA-N
• INCHI: 1S/C14H18O2/c1-8-6-11-7-9(2)14(16)13(11)10(3)12(8)4-5-15/h6,9,15H,4-5,7H2,1-3H3/t9-/m1/s1
• 異性体SMILES: C[C@@H]1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C
• 代替CAS番号: 34175-96-7
• PubChem CID: 115049
• MeSH用語: pterosin B
• 分子量: 218.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Indanes
      • Subclass Indanones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Indanes
• Subclass: Indanones
• Intermediate Tree Nodes: Not available
• Direct Parent: Indanones
• Alternative Parents: Aryl alkyl ketones Primary alcohols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Indanone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homopolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
• 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）

HCT-116 (91556 Activities)

Explore this target

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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 : 250 mg/mL (1145.27 mM; Need ultrasonic)
• 分子量: 218.290 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 218.131 Da
• Monoisotopic Mass: 218.131 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 274.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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