Pterosin B - ≥99% , CAS No.34175-96-7

CAS: 34175-96-7 Cat. No.: P647021 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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.

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.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C[C@@H]1CC2=C(C1=O)C(=C(C(=C2)C)CCO)C
• Alternate CAS: 34175-96-7
• PubChem CID: 115049
• MeSH Entry Terms: pterosin B
• Molecular Weight: 218.29

Taxonomic Classification

Taxonomy Tree

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

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

Associated Targets(Human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO : 250 mg/mL (1145.27 mM; Need ultrasonic)
• Molecular Weight: 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