8-Epixanthatin - ≥99% , CAS No.30890-35-8

CAS: 30890-35-8 Cat. No.: E646241 분자식: C₁₅H₁₈O₃ 분자량: 246.30 PubChem CID: 11694445

GRADE & PURITY ≥99%

Synonyms

HY-137974 | Q27270227 | 2H-Cyclohepta(b)furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxo-1-butenyl)-, (3aR,6(E),7S,8aR)- | BDBM233133 | 2H-Cyclohepta(b)furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxo-1-butenyl)-, (3ar-

Storage

Protected from light,Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

8-Epixanthatin is a potential colchicine binding site inhibitor isolated from Xanthium chinese Mill. 8-Epixanthatin can inhibit the activation of STAT3 , induce apoptosis , and has anti-tumor activity.

In Vitro

8-Epixanthatin(2-20 μM, 12 h) inhibits DU145 cell proliferation and p-STAT3 levels of DU145 cell in a dose-dependent manner with an IC 50 value of 3.2 μM. 8-Epixanthatin can inhibit STAT3 activation and cell proliferation by inducing ROS production in DU145 cancer cells. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Proliferation AssayCell Line: DU145 cell Concentration: 2, 5, 10, and 20 μM Incubation Time: 12 h or 48 h Result: Reduced STAT3 phosphorylation by 90% at a concentration of 20 μM but not p-JAK2-Y1007/1008. Significantly reduced the amount of BCL-2 and BCL-xL, and induces BCL-xL PARP cleavage, the percentage of cells in G0/G1 phase decreased.

In Vivo

8-Epixanthatin (i.p., 50 mg/kg, 5 days per week for 25 days) can inhibit tumor growth through STAT3 inactivation, the tumor volume of mice was reduced by 40.1%, the tumor weight was reduced by 40.0%, and the p-STAT3 level in the tumor was significantly reduced in the mouse xenograft model of DU145 cells . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

동의어

HY-137974 | Q27270227 | 2H-Cyclohepta(b)furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxo-1-butenyl)-, (3aR,6(E),7S,8aR)- | BDBM233133 | 2H-Cyclohepta(b)furan-2-one, 3,3a,4,7,8,8a-hexahydro-7-methyl-3-methylene-6-(3-oxo-1-butenyl)-, (3ar-

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

8-Epixanthatin is a potential colchicine binding site inhibitor isolated from Xanthium chinese Mill . 8-Epixanthatin can inhibit the activation of STAT3 , induce apoptosis , and has anti-tumor activity.

보관 조건

Protected from light,Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

순수함

≥99%

이름과 식별자

정식 스마일

CC1CC2C(CC=C1C=CC(=O)C)C(=C)C(=O)O2

IUPAC Name

(3aR,7S,8aR)-7-methyl-3-methylidene-6-[(E)-3-oxobut-1-enyl]-4,7,8,8a-tetrahydro-3aH-cyclohepta[b]furan-2-one

InChIKey

RBRPTFMVULVGIC-MDKNCZOUSA-N

INCHI

1S/C15H18O3/c1-9-8-14-13(11(3)15(17)18-14)7-6-12(9)5-4-10(2)16/h4-6,9,13-14H,3,7-8H2,1-2H3/b5-4+/t9-,13+,14+/m0/s1

이성체 SMILES

C[C@H]1C[C@@H]2[C@H](CC=C1/C=C/C(=O)C)C(=C)C(=O)O2

대체 CAS

30890-35-8

PubChem CID

11694445

MeSH 용어

8-epi-xanthatin;xanthatin

분자량

246.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 분류 Prenol lipids
      • Subclass Terpene lactones
        • Level5 Sesquiterpene lactones
          • Level6 Xanthanolides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 분류: Prenol lipids
• Subclass: Terpene lactones
• Intermediate Tree Nodes: Sesquiterpene lactones
• Direct Parent: Xanthanolides
• Alternative Parents: Sesquiterpenoids Gamma butyrolactones Oxolanes Enones Enoate esters Acryloyl compounds Ketones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Xanthanolide-skeleton - Sesquiterpenoid - Xanthane sesquiterpenoid - Gamma butyrolactone - Acryloyl-group - Enone - Oxolane - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Alpha,beta-unsaturated ketone - Lactone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Carbonyl group - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as xanthanolides. These are sesquiterpenoids with a structure based on the xanthanolide skeleton consistsing of a cycloheptane ring usually attached to a four-carbon chain (at carbon 1 ) and a methyl group (at carbon 10), and fused to a five-member lactone ring (sharing carbons 7 and 8). The lactone ring can be conjugated with a methyl or methylene group at position 11.
• 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

작용 메커니즘

화학 및 물리적 특성

• 분자량: 246.300 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 246.126 Da
• Monoisotopic Mass: 246.126 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 456.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

How should this product be stored?

Store at ?80 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

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

The CAS Number is 30890-35-8, the molecular formula is C15H18O3, and the molecular weight is 246.30 g/mol. InChIKey RBRPTFMVULVGIC-MDKNCZOUSA-N.

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.