香柑醇； 5-羟基-6,7-呋喃并香豆素

• 常用名: 香柑醇； 5-羟基-6,7-呋喃并香豆素
• 英文名: Bergaptol
• CAS号: 486-60-2
• 分子量: 202.163
• 密度: 1.5±0.1 g/cm3
• 沸点: 311.9±11.0 °C at 760 mmHg
• 分子式: C₁₁H₆O₄
• 熔点: 287-290ºC
• 闪点: 142.4±19.3 °C
• 符号: GHS07
• 信号词: Warning

香柑醇； 5-羟基-6,7-呋喃并香豆素用途

Bergaptol是CYP3A4酶脱苄基作用的抑制剂,它的IC50是24.92 uM. 最近的研究表明它有抗增殖和抗癌性。

香柑醇； 5-羟基-6,7-呋喃并香豆素名称

• 中文名: 香柑醇
• 英文名: bergaptol
• 中文别名: 佛手酚 | (S)-2-氨基-2-(3,5-二氟吡啶-2-基)乙醇 | 5-羟基-6,7-呋喃并香豆素

香柑醇； 5-羟基-6,7-呋喃并香豆素生物活性

• 描述: Bergaptol是CYP3A4酶脱苄基作用的抑制剂,它的IC50是24.92 uM. 最近的研究表明它有抗增殖和抗癌性。
• 相关类别:
  信号通路 >> 代谢酶/蛋白酶 >> 细胞色素P450
  天然产物 >> 苯丙酸类
  研究领域 >> 癌症
• 参考文献:

  [1]. Basavaraj Girennavar et al. Radical scavenging and cytochrome P450 3A4 inhibitory activity of bergaptol and geranylcoumarin from grapefruit. Bioorganic & Medicinal Chemistry.June 2007, Pages 3684-3691

  [2]. Yucheng Zhao et al. Cloning, Functional Characterization, and Catalytic Mechanism of a Bergaptol O-Methyltransferase from Peucedanum praeruptorum Dunn. Front Plant Sci, 2016, 7: 722.

香柑醇； 5-羟基-6,7-呋喃并香豆素物理化学性质

• 密度: 1.5±0.1 g/cm3
• 沸点: 311.9±11.0 °C at 760 mmHg
• 熔点: 287-290ºC
• 分子式: C₁₁H₆O₄
• 分子量: 202.163
• 闪点: 142.4±19.3 °C
• 精确质量: 202.026611
• PSA: 63.58000
• LogP: 0.93
• InChIKey: GIJHDGJRTUSBJR-UHFFFAOYSA-N
• SMILES: O=c1ccc2c(O)c3ccoc3cc2o1
• 蒸汽压: 0.0±0.7 mmHg at 25°C
• 折射率: 1.711
• 储存条件: 2-8°C

香柑醇； 5-羟基-6,7-呋喃并香豆素安全信息

• 符号: GHS07
• 信号词: Warning
• 危害声明: H302-H319
• 警示性声明: P305 + P351 + P338
• 危害码 (欧洲): Xn
• 风险声明 (欧洲): 22-36
• 安全声明 (欧洲): 22-24/25
• 危险品运输编码: NONH for all modes of transport

香柑醇； 5-羟基-6,7-呋喃并香豆素靶点实验

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实验名称：Luminescence-based cell-based primary high throughput screening assay to identify ago... 来源：The Scripps Research Institute Molecular Screening Center 靶标：mu-type opioid receptor isoform MOR-1 [Homo sapiens] External Id：OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN

实验名称：QFRET-based biochemical primary high throughput screening assay to identify exosite i... 来源：The Scripps Research Institute Molecular Screening Center 靶标：disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens] External Id：ADAM17_INH_QFRET_1536_1X%INH PRUN

实验名称：ERK5 transcriptional activity HTS 来源：24565 靶标：N/A External Id：ERK5 transcriptional activity-HTS

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：uHTS identification of small molecule activators of the adaptive arm of the Unfolded ... 来源：Burnham Center for Chemical Genomics 靶标：N/A External Id：BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay

实验名称：Fluorescence polarization to screen for inhibitor that competite the binding of FadD2... 来源：Broad Institute 靶标：FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE) External Id：2147-01_Inhibitor_SinglePoint_HTS_Activity

实验名称：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect... 来源：Broad Institute 靶标：N/A External Id：Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity

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：Fluorescence polarization-based biochemical high throughput primary assay to identify... 来源：The Scripps Research Institute Molecular Screening Center 靶标：RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens] External Id：SIAE_INH_FP_1536_1X%INH PRUN

实验名称：Validation qHTS for agonist of cAMP-regulated guanine nucleotide exchange factor 3 (E... 来源：NCGC External Id：epac1-activator-v

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香柑醇； 5-羟基-6,7-呋喃并香豆素英文别名

• 4-hydroxyfuranocoumarin
• 5-Hydroxypsoralen
• 4-hydroxyfuro[3,2-g]chromen-7-one
• 4-Hydroxy7H-furo[3,2-g][1]benzopyran-7-one,4-Hydroxybergapten,5-Hydroxy-6,7-furanocoumarin
• xanthotoxol
• 5-Hydroxyfuranocoumarin
• Psoralin,5-hydroxy
• 4-Hydroxy-7H-furo[3,2-g]chromen-7-one
• Bergaptol
• 9-hydroxyfuranocoumarin