Cedrelon | 1254-85-9

• 物质功能分类: 天然产物 - 萜类
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: Cedrelon
• 英文别名: cedrelone；(1R,2R,4R,6S,7S,11R)-6-(furan-3-yl)-17-hydroxy-1,7,11,15,15-pentamethyl-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadeca-12,16-diene-14,18-dione
• CAS: 1254-85-9
• 化学式: C₂₆H₃₀O₅
• 分子量: 422.521
• InChiKey: OQMUOVSEPOBWMK-FDGFJIMDSA-N

物化性质

• 熔点：
  204 °C
• 沸点：
  584.2±50.0 °C(Predicted)
• 密度：
  1.30±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  31
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  80
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  6-acetoxy-3β-hydroxy-7-oxo-14β,15β-epoxymeliac-1,5-diene-3-O-β-D-glucuronopyranoside 在 sodium hydroxide 、 chromium trioxide-pyridine complex 、 硫酸 作用下， 以 甲醇 为溶剂， 反应 0.67h， 生成 Cedrelon
  参考文献：
  名称：

  Srivastava, Santosh K.; Gupta, Hari O., Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1985, vol. 24, p. 166 - 170

  摘要：

  DOI：

文献信息

• COMPOUNDS AND METHODS FOR MODULATING PROTEIN TRAFFICKING
  申请人：Bulawa Christine

  公开号：US20100305068A1

  公开（公告）日：2010-12-02

  Disclosed are compositions and methods for modulating protein trafficking and treating or preventing disorders characterized by impaired protein trafficking. Also disclosed are methods for producing a protein and identifying compounds that rescue protein trafficking defects.
• HTS Assay for Identifying Small Molecule Inhibitors of RAD52 and Uses of Identified Small Molecule Inhibitors for Treatment and Prevention of BRCA-Deficient Malignancies
  申请人：University of Iowa Research Foundation

  公开号：US20180209956A1

  公开（公告）日：2018-07-26

  Disclosed are methods, compositions, kits, and systems for identifying small-molecule drugs for treating cancer in a subject. The disclosed methods, compositions, kits, and systems may be utilized to identify small-molecule inhibitors of radiation sensitive protein 52 (RAD52) in order to treat cancer in a subject, such as breast cancer in a subject having a BRCA1-deficient, BRCA2-deficient, and/or PALB2-deficient phenotype by administering the identified small-molecule inhibitors to the subject.
• Srivastava, Santosh K.; Gupta, Hari O., Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1985, vol. 24, p. 166 - 170
  作者：Srivastava, Santosh K.、Gupta, Hari O.

  DOI：——

  日期：——