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双酚-alpha-2,2’,6,6’-D4

更新时间:2025-09-22 20:13:52

双酚-alpha-2,2’,6,6’-D4结构式
双酚-alpha-2,2’,6,6’-D4结构式
品牌特惠专场
常用名 双酚-alpha-2,2’,6,6’-D4 英文名 4,4'-Propane-2,2-diyldi(2,6-2H2)phenol
CAS号 102438-62-0 分子量 232.311
密度 1.1±0.1 g/cm3 沸点 400.8±25.0 °C at 760 mmHg
分子式 C15H12D4O2 熔点 N/A
MSDS N/A 闪点 192.4±17.8 °C

 双酚-alpha-2,2’,6,6’-D4用途


双酚A-d4是氘标记的双酚A[1]。双酚A是一种酚类有机合成化合物,广泛用于生产聚碳酸酯塑料和环氧树脂。双酚A是一种生殖、发育和全身毒性物质,通常被归类为内分泌干扰物(EDC)。双酚A与许多疾病有关,包括心血管疾病、呼吸系统疾病、糖尿病、肾脏疾病、肥胖和生殖障碍[2][3]。

 双酚-alpha-2,2’,6,6’-D4名称

中文名 双酚-alpha-2,2’,6,6’-D4
英文名 bisphenol-a-2,2',6,6'-d4
英文别名 更多

 双酚-alpha-2,2’,6,6’-D4生物活性

描述 双酚A-d4是氘标记的双酚A[1]。双酚A是一种酚类有机合成化合物,广泛用于生产聚碳酸酯塑料和环氧树脂。双酚A是一种生殖、发育和全身毒性物质,通常被归类为内分泌干扰物(EDC)。双酚A与许多疾病有关,包括心血管疾病、呼吸系统疾病、糖尿病、肾脏疾病、肥胖和生殖障碍[2][3]。
相关类别
体外研究 氢、碳和其他元素的稳定重同位素已被掺入药物分子中,主要作为药物开发过程中定量的示踪剂。头韵因其可能影响药物的药代动力学和代谢特征而受到关注[1]。
参考文献

[1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-216.  

[2]. Huang M, et al. Bisphenol A and its analogues bisphenol S, bisphenol F and bisphenol AF induce oxidative stress and biomacromolecular damage in human granulosa KGN cells. Chemosphere. 2020 Apr 9;253:126707.  

[3]. Rubin BS, et al. Bisphenol A: an endocrine disruptor with widespread exposure and multiple effects. J Steroid Biochem Mol Biol. 2011 Oct;127(1-2):27-34.  

 双酚-alpha-2,2’,6,6’-D4物理化学性质

密度 1.1±0.1 g/cm3
沸点 400.8±25.0 °C at 760 mmHg
分子式 C15H12D4O2
分子量 232.311
闪点 192.4±17.8 °C
精确质量 232.140137
PSA 40.46000
LogP 3.43
InChIKey IISBACLAFKSPIT-LNFUJOGGSA-N
SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
蒸汽压 0.0±1.0 mmHg at 25°C
折射率 1.599

 双酚-alpha-2,2’,6,6’-D4靶点实验

查看更多实验

实验名称:Inhibition of recombinant human CK1epsilon expressed in Sf9 insect cells incubated fo...
来源:ChEMBL
靶标:Casein kinase I isoform epsilon
External Id:CHEMBL5251364
实验名称:Inhibition of recombinant human CDK5/p25 expressed in Sf9 insect cells incubated for ...
来源:ChEMBL
靶标:Cyclin-dependent kinase 5
External Id:CHEMBL5251363
实验名称:Inhibition of recombinant human CLK2 expressed in Sf9 insect cells incubated for 60 m...
来源:ChEMBL
靶标:Dual specificity protein kinase CLK2
External Id:CHEMBL5251366
实验名称:Primary qHTS assay for inhibitors of alpha-synuclein gene (SNCA) expression
来源:NCGC
External Id:SNCA-p-activity-luciferase
实验名称:Inhibition of recombinant human CLK1 expressed in Sf9 insect cells incubated for 60 m...
来源:ChEMBL
靶标:Dual specificity protein kinase CLK1
External Id:CHEMBL5251365
实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify ago...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_AG_FLUO8_1536_1X%ACT PRUN
实验名称:Fluorescence-based cell-based primary high throughput screening assay to identify pos...
来源:The Scripps Research Institute Molecular Screening Center
靶标:muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id:CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
实验名称:qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity
来源:NCGC
External Id:HERG01
实验名称:Cytotoxicity against mouse HT-22 cells assessed as reduction in cell viability incuba...
来源:ChEMBL
靶标:HT-22
External Id:CHEMBL5251390
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 双酚-alpha-2,2’,6,6’-D4英文别名

4,4'-(2,2-Propanediyl)di(2,6-H)phenol
4,4'-Propane-2,2-diyldi(2,6-H)phenol
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