S14161 - ≥99% , CAS No.883046-50-2

CAS: 883046-50-2 Cat. No.: S276454 分子式: C₁₇H₁₄FNO₄ 分子量: 315.3 EC番号: 110-438-5 PubChem CID: 2732983

GRADE & PURITY ≥99%

Synonyms

8-Ethoxy-2-(4-fluorophenyl)-3-nitro-2H-1-benzopyran

Storage

遮光,-20℃保存,乾燥状態

Shipped In

アイスチェスト＋アイスパッド

概要

20℃で保存すること。この製品は光に弱いことが報告されているので注意すること。暗所で保管してください。乾燥条件下で保管すること。

Specifications

同義語

8-Ethoxy-2-(4-fluorophenyl)-3-nitro-2H-1-benzopyran

仕様と純度

≥99%

生化学的・生理学的メカニズム

サイクリンD 1 -D 3阻害剤。ホスホイノシチド3キナーゼ阻害剤。アポトーシス剤G 0 /G 1期での細胞周期停止を誘導（IC 50 < 10 μM）。生体内で抗腫瘍効果を示す。経口活性。

保管条件

遮光,-20℃保存,乾燥状態

入荷

アイスチェスト＋アイスパッド

注

可能な限り、溶液はその日のうちに調製し、使用すること。ただし、事前にストック溶液を調製する必要がある場合は、密栓したバイアルに分注した溶液を-20℃で保存することをお勧めします。通常、これらは1ヶ月間使用可能です。使用前、バイアルを開封する前に、製品を少なくとも1時間室温に平衡化させることをお勧めします。溶解性、使用方法、取り扱いについて、さらに詳しいアドバイスが必要ですか？詳しくは、よくある質問（FAQ）のページをご覧ください。

純度

≥99%

名前と識別子

• カノニカル・スマイル: CCOC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)F
• IUPAC Name: 8-ethoxy-2-(4-fluorophenyl)-3-nitro-2H-chromene
• InChIKey: BFZXDHIUPNWOMT-UHFFFAOYSA-N
• INCHI: 1S/C17H14FNO4/c1-2-22-15-5-3-4-12-10-14(19(20)21)16(23-17(12)15)11-6-8-13(18)9-7-11/h3-10,16H,2H2,1H3
• 異性体SMILES: CCOC1=CC=CC2=C1OC(C(=C2)[N+](=O)[O-])C3=CC=C(C=C3)F
• PubChem CID: 2732983
• 分子量: 315.3

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 分類 Flavonoids
      • Subclass Flav-3-enes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 分類: Flavonoids
• Subclass: Flav-3-enes
• Intermediate Tree Nodes: Not available
• Direct Parent: Flav-3-enes
• Alternative Parents: 1-benzopyrans Fluorobenzenes Alkyl aryl ethers Aryl fluorides C-nitro compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Flav-3-ene - Benzopyran - 1-benzopyran - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Ether - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Organic oxoazanium - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as flav-3-enes. These are flavonoids with a structure based on the 2-phenylchromene skeleton, with a double bond between the C3 and C4 carbon atoms of the chromene moiety.
• 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）

K562 (73714 Activities)

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SK-OV-3 (52876 Activities)

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A549 (127892 Activities)

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MDA-MB-231 (73002 Activities)

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関連ターゲット（非人間）

B16 (5829 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: Soluble in DMSO
• 感度: light sensitive
• 分子量: 315.290 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 315.091 Da
• Monoisotopic Mass: 315.091 Da
• Topological Polar Surface Area: 64.300 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 456.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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 ≥99% 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, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 883046-50-2, the molecular formula is C17H14FNO4, and the molecular weight is 315.3 g/mol. InChIKey BFZXDHIUPNWOMT-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.