Erianin - ≥98% , CAS No.95041-90-0

CAS: 95041-90-0 Cat. No.: E414341 分子式: C₁₈H₂₂O₅ 分子量: 318.36

グレード＆純度 ≥98%

Synonyms

5-(3,4,5-trimethoxyphenethyl)-2-methoxyphenol | DTXSID40326751 | UXDFUVFNIAJEGM-UHFFFAOYSA-N | NSC-613744 | FT-0608704 | Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]- | 2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenol | SCHEMBL1535646

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Erianin Erianin, a natural product derived from Dendrobium chrysotoxum, has been used as an analgesic in traditional Chinese medicine and is a potential anti-tumor agent. Erianin can inhibit IDO -induced tumor angiogenesis.

仕様

同義語

5-(3,4,5-trimethoxyphenethyl)-2-methoxyphenol | DTXSID40326751 | UXDFUVFNIAJEGM-UHFFFAOYSA-N | NSC-613744 | FT-0608704 | Phenol, 2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]- | 2-methoxy-5-(3,4,5-trimethoxyphenethyl)phenol | SCHEMBL1535646

仕様と純度

≥98%

生化学的・生理学的メカニズム

Erianin, a natural product derived from Dendrobium chrysotoxum, has been used as an analgesic in traditional Chinese medicine and is a potential anti-tumor agent. Erianin can inhibit IDO-induced tumor angiogenesis.

保管条件

Protected from light,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

≥98%

製品の性質

ALogP

3.953

hba_count

4

HBD数

1

回転可能な結合

7

名前と識別子

パブケム・シド

488189634

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488189634

カノニカル・スマイル

COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O

IUPAC Name

2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol

InChIKey

UXDFUVFNIAJEGM-UHFFFAOYSA-N

INCHI

1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3

異性体SMILES

COC1=C(C=C(C=C1)CCC2=CC(=C(C(=C2)OC)OC)OC)O

分子量

318.36

Reaxy-Rn

4525326

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4525326&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Methoxyphenols Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Methoxyphenol - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Benzenoid - Monocyclic benzene moiety - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

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HL-60 (67320 Activities)

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HT-29 (80576 Activities)

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MCF7 (126967 Activities)

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SK-HEP1 (1155 Activities)

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SK-MEL-5 (47095 Activities)

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T-24 (2342 Activities)

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A549 (127892 Activities)

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HepG2 (196354 Activities)

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PRKAA2 Tchem AMP-activated protein kinase, AMPK (12273 Activities)

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L02 (4864 Activities)

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関連ターゲット（非人間）

TUBB2B Tubulin beta chain (424 Activities)

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L1210 (27553 Activities)

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P388 (20296 Activities)

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srtA Sortase A (641 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

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TUBB2B Tubulin (2175 Activities)

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SARS-CoV-2 (38078 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 63 mg/mL (197.88 mM)
• 感度: light sensitive
• DMSO（mg / mL） 最大溶解度: 63
• DMSO（mM） 最大溶解度: 197.886521691441
• 分子量: 318.400 g/mol
• XLogP3: 3.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 318.147 Da
• Monoisotopic Mass: 318.147 Da
• Topological Polar Surface Area: 57.200 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 323.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °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 in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 95041-90-0, the molecular formula is C18H22O5, and the molecular weight is 318.36 g/mol. InChIKey UXDFUVFNIAJEGM-UHFFFAOYSA-N.

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.