CAS 81267-65-4 Phenoxodiol (HCID 219100)

基本情報

CAS: 81267-65-4
標準SMILES: Oc1ccc(C2=Cc3ccc(O)cc3OC2)cc1
InChIKey: ZZUBHVMHNVYXRR-UHFFFAOYSA-N
分子式: C15H12O3
平均分子量: 240.25 g/mol
単同位体質量: 240.07864424

概要

Idronoxil is a substance that is being studied in the treatment of cancer. It belongs to the family of drugs called signal transduction inhibitors.

名称と識別子

優先名称: Phenoxodiol
IUPAC: 3-(4-hydroxyphenyl)-2H-chromen-7-ol
現地名: フェノキソジオール
英語名: Phenoxodiol
分子式: C15H12O3
分子量: 240.25

名称と別名

PhenoxodiolIdronoxil81267-65-43-(4-Hydroxyphenyl)-2H-chromen-7-ol3-(4-Hydroxyphenyl)-2H-1-benzopyran-7-olNV-062H-1-Benzopyran-7-ol, 3-(4-hydroxyphenyl)-Idronoxilo7-hydroxy-3-hydroxyphenyl-1H-benzopyran995FT1W541DTXSID50231029idronoxilum

名称をさらに表示

フェノキソジオールイドロノキシル3-(4-ヒドロキシフェニル)-2H-クロメン-7-オールデヒドロエクオール3-(4-ヒドロキシフェニル)-2H-1-ベンゾピラン-7-オールハギニンENV 06Idronoxil，PhenoxodiolPhenoxodiol, 10 mM in DMSO7,4'-DIHYDROXYISOFLAV-3-ENEPhenoxodiol Haginin E Idronoxil

2H-1-benzopyran-7-0,1,3-(4-hydroxyphenyl)RefChem:790571NOX66DTXCID00153520663-523-9DehydroequolHaginin EPhenoxodiol (Haginin E)

データベース識別子

CAS: 81267-65-4
PubChem CID: 219100
DTXSID

物性

構造計算による物性

XLogP: 2.7
極性表面積: 49.7 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 1
重原子数: 18
形式電荷: 0
複雑度: 318

実験および物理化学的性質

DrugsPharmaceuticals -> Listed in ZINC15

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

物理化学的性質

貯蔵温度: room temp
溶解性: 10 mg/mL、透明 · DMSO：可溶10mg/mL、透明
外見: 粉
色: 白から薄茶色

安全と法規制

GHS分類

GHS Classification · 4 件

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 4 (100%)

安全データ

wgk: 3
ridadr: UN 3077 9 / PGIII
risk_code: 22-50
hazard_code: Xn,N
safety_code: 61

化学と産業

薬理情報

Pharmacodynamics · 1 件

Phenoxodiol inhibits proliferation of many cancer cell lines and induces apoptosis by disrupting FLICE-inhibitory protein, FLIP, expression and by caspase-dependent and -independent degradation of the X-linked inhibitor of apoptosis, XIAP. In addition, phenoxodiol sensitizes drug-resistant tumour cells to anticancer drugs including paclitaxel, carboplatin and gemcitabine.

Mechanism of Action · 1 件

The antiproliferative effects of phenoxodiol are associated with inhibition of plasma membrane electron transport in tumour cell lines and primary immune cells. Results from one study (PMID: 17904534) indicate that plasma membrane electron transport (PMET) may be a primary target for phenoxodiol in tumour cells and in activated T cells.

応用分野

使用Antineoplastic which acts as an antiproliferative, topoisomerase II inhibitor; 5 reductase inhibitor[Note— The trivial name, phenoxodiol, has appeared in literature].