Cholestane-3,6-diol | 853404-13-4

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: Cholestane-3,6-diol
• 英文别名: (8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,6-diol
• CAS: 853404-13-4
• 化学式: C₂₇H₄₈O₂
• 分子量: 404.677
• InChiKey: PMWTYEQRXYIMND-PRBMJUQPSA-N

物化性质

• 熔点：
  190 °C
• 沸点：
  503.4±33.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  8
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  Cholestane-3,6-diol 在 Jones reagent 、 盐酸羟胺 、 sodium acetate 作用下， 以 乙醇 、 丙酮 为溶剂， 反应 2.0h， 生成 (3E)-hydroxyiminocholest-6-one
  参考文献：
  名称：

  Syntheses and antiproliferative activity of some sulfated hydroximinosterols

  摘要：

  Four new sulfated steroidal compounds, sodium 3-hydroxy-6-hydroximinocholestane 3-sulfate (7a), sodium 3-hydroxy-6-hydroximinostigmastane 6-sulfate (7b), sodium 3-hydroxy-6-hydroximinocholest-4-ene 3-sulfate (10a), and sodium 6-hydroxy-3-hydroximinocholestane 6-sulfate (16) had been synthesized using cholesterol or stigmasterol as starting materials by different synthetic methods. The synthetic compounds were characterized by their analytical and spectral data, and their antiproliferative activity against MGC 7901 (human gastric carcinoma cell line), HeLa (human cervical carcinoma cell line), and SMMC 7404 (human liver carcinoma cell line) were investigated. The results showed that the compounds exhibited a remarkable cytotoxicity against HeLa tumor cells in vitro and 7a displayed a better cytotoxicity than cisplatin (a positive contrast).

  DOI：

  10.1007/s00044-012-0047-5
• 作为产物：
  描述：

  胆固醇 在 sodium tetrahydroborate 、 nickel(II) chloride hexahydrate 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 48.5h， 生成 Cholestane-3,6-diol
  参考文献：
  名称：

  Syntheses and antiproliferative activity of some sulfated hydroximinosterols

  摘要：

  Four new sulfated steroidal compounds, sodium 3-hydroxy-6-hydroximinocholestane 3-sulfate (7a), sodium 3-hydroxy-6-hydroximinostigmastane 6-sulfate (7b), sodium 3-hydroxy-6-hydroximinocholest-4-ene 3-sulfate (10a), and sodium 6-hydroxy-3-hydroximinocholestane 6-sulfate (16) had been synthesized using cholesterol or stigmasterol as starting materials by different synthetic methods. The synthetic compounds were characterized by their analytical and spectral data, and their antiproliferative activity against MGC 7901 (human gastric carcinoma cell line), HeLa (human cervical carcinoma cell line), and SMMC 7404 (human liver carcinoma cell line) were investigated. The results showed that the compounds exhibited a remarkable cytotoxicity against HeLa tumor cells in vitro and 7a displayed a better cytotoxicity than cisplatin (a positive contrast).

  DOI：

  10.1007/s00044-012-0047-5

文献信息

• Meiosis regulating compounds
  申请人：——

  公开号：US20010003782A1

  公开（公告）日：2001-06-14

  Certain novel sterol derivatives can be used for regulating the meiosis in oocytes and in male germ cells.

  某些新型甾醇衍生物可以用于调节卵母细胞和雄性生殖细胞的减数分裂。
• Liquid crystal orienting agent
  申请人：JAPAN SYNTHETIC RUBBER CO., LTD.

  公开号：EP0735403A1

  公开（公告）日：1996-10-02

  A liquid crystal aligning agent contains (1) at least one polymer selected from the group consisting of a polyamic acid obtainable by a reaction between a tetracarboxylic acid dianhydride and a diamine compound and an imidized polymer obtainable by cyclization with dehydration of the polyamic acid; (2) at least one first solvent selected from the group consisting of N-alkyl-2-pyrrolidones, lactones, and 1,3-dialkyl-2-imidazolidinones; (3) at least one second solvent selected from the group consisting of: (a) a first compound represented by general formula (I) wherein R1 is an alkylene group having 2 or 3 carbon atoms; R2 is an alkyl group having 1 to 4 carbon atoms an acetyl group or a propionyl group; R3 is an alkyl group having 1 to 3 carbon atoms, an alkoxyl group having 1 to 3 carbon atoms, or a halogen atom; a is 1 or 2; and b is 0 or integers of from 1 to 5; and (b) a second compound represented by general formula (II) wherein R4 is an alkyl group having 1 to 4 carbon atoms; R5 is an alkylene group having 2 or 3 carbon atoms; R6 is an alkyl group having 1 to 3 carbon atoms; and c is 1 or 2.

  液晶对准剂包含 (1) 至少一种聚合物，选自由四羧酸二酐和二胺化合物反应生成的聚氨基 酸和聚氨基酸脱水环化生成的亚胺化聚合物组成的组； (2) 至少一种第一溶剂，选自由 N-烷基-2-吡咯烷酮、内酯和 1,3-二烷基-2-咪唑烷酮组成的组； (3) 至少一种第二溶剂，选自由下列物质组成的组 (a) 通式 (I) 所代表的第一种化合物 其中 R1 是具有 2 或 3 个碳原子的亚烷基；R2 是具有 1 至 4 个碳原子的烷基、乙酰基或丙酰基；R3 是具有 1 至 3 个碳原子的烷基、具有 1 至 3 个碳原子的烷氧基或卤原子；a 是 1 或 2；b 是 0 或 1 至 5 的整数；以及 (b) 通式(II)代表的第二种化合物 其中 R4 是具有 1 至 4 个碳原子的烷基；R5 是具有 2 或 3 个碳原子的亚烷基；R6 是具有 1 至 3 个碳原子的烷基；以及 c 是 1 或 2。
• Nanoemulsions and methods for cancer therapy
  申请人：Kreutz Fernando Thome

  公开号：US11332494B2

  公开（公告）日：2022-05-17

  An oxysterol or oxysterol-like compound is provided, which finds use in treating and/or targeting cancer.

  提供了一种氧甾醇或氧甾醇样化合物，可用于治疗和/或靶向癌症。
• USE OF MEIOSIS REGULATING COMPOUNDS
  申请人：NOVO NORDISK A/S

  公开号：EP1077992B1

  公开（公告）日：2003-12-10
• MEIOSIS REGULATING COMPOUNDS
  申请人：NOVO NORDISK A/S

  公开号：EP1077992A1

  公开（公告）日：2001-02-28