2-フェニル-4-オキソ-4H-1-ベンゾピラン-8-酢酸

Flavone-8-Acetic Acid

HCID 55748CAS 87626-55-9

部分構造検索類似構造を探す

基本情報

標準SMILES: O=C(O)Cc1cccc2c(=O)cc(-c3ccccc3)oc12
InChIKey: TZZNWMJZDWYJAZ-UHFFFAOYSA-N
分子式: C17H12O4
平均分子量: 280.27 g/mol
単同位体質量: 280.07355886

概要

Mitoflaxone is a small molecule drug. Mitoflaxone has a monoisotopic molecular weight of 280.07 Da.

名称と識別子

優先名称: Flavone-8-Acetic Acid
IUPAC: 2-(4-oxo-2-phenylchromen-8-yl)acetic acid
現地名: 2-フェニル-4-オキソ-4H-1-ベンゾピラン-8-酢酸
英語名: Mitoflaxone
分子式: C17H12O4
分子量: 280.27

名称と別名

MitoflaxoneFlavone acetic acid87626-55-9flavone-8-acetic acidLM-975MitoflaxonaNSC-347512MitoflaxonumNSC 3475124-Oxo-2-phenyl-4H-1-benzopyran-8-acetic acidNSC3475124H-1-BENZOPYRAN-8-ACETIC ACID, 4-OXO-2-PHENYL-

名称をさらに表示

ミトフラキソン2-フェニル-4-オキソ-4H-1-ベンゾピラン-8-酢酸4-オキソ-2-フェニル-4H-1-ベンゾピラン-8-酢酸フラボン-8-酢酸酢酸フラボンフラボン酢酸マイトフラキソン2-(4-オキソ-2-フェニル-4H-クロメン-8-イル)酢酸NSC-37512FLAVONE-8-ACETICACID2-(4-oxo-2-phenylchromen-8-yl)acetic acid2-(4-oxo-2-phenyl-4H-chromen-8-yl)acetic acid(WXG00880)

2-Phenyl-8-(carboxymethyl)-benzopyran-4-oneDTXSID50236534X230G6E63BRefChem:159087DTXCID80159025(4-Oxo-2-phenyl-4H-chromen-8-yl)-acetic acid4H-1-benzopyran-8-acetic Acid, 4-Oxo-2-phenylMitoflaxone [INN]

データベース識別子

CAS: 87626-55-9
PubChem CID: 55748
DTXSID: DTXSID50236534
ChEMBL: CHEMBL443793
UNII: X230G6E63B
Nikkaji: J227.455H

物性

構造計算による物性

XLogP: 3
極性表面積: 63.6 Å²
水素結合供与体数: 1
水素結合受容体数: 4
回転可能結合数: 3
重原子数: 21
形式電荷: 0
複雑度: 448

実験および物理化学的性質

Solubility · 6 件

Water < 0.1 (mg/mL)

0.1 N NaOH ~20 (mg/mL)

0.1 N HCl < 0.1 (mg/mL)

0.1 M NaHCO3 < 0.3 (mg/mL)

95% EtOH 1 (mg/mL)

MeOH 1 (mg/mL)

Stability/Shelf LifeBulk: As a bulk chemical, Flavone -8- acetic acid is stable for at least 3 months at 60 °C (HPLC). Solution: Solutions of 1 mg/mL dissolved in 0.1 N NaOH (pH 9) showed no decomposition for at least 27 hours.

物理化学的性質

融点: 234 °C · 234 °C(Solv: ethanol (64-17-5))
沸点: 507.9 · 507.9±50.0 °C(Predicted)
比重(密度): 1.355 · 1.355±0.06 g/cm3(Predicted)
酸解離定数(Pka): 4.16 · 4.16±0.10(Predicted)

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity.

Substances that inhibit or prevent the proliferation of NEOPLASMS.

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