(β-cholesteryl)(methyl)sulfane | 911-39-7

• 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: (β-cholesteryl)(methyl)sulfane
• 英文别名: methyl-cholesteryl sulfide；3β-Methylmercapto-cholesten-(5)；Methyl-cholesteryl-sulfid；(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-3-methylsulfanyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene
• CAS: 911-39-7
• 化学式: C₂₈H₄₈S
• 分子量: 416.755
• InChiKey: CSDNFDRMMGNTCT-PXBBAZSNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  9.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.93
• 拓扑面积：
  25.3
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (β-cholesteryl)(methyl)sulfane 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 以12 %的产率得到3β-methylsulfonyl-5,6-epoxycholestane
  参考文献：
  名称：

  5ALPHA-HYDROXY-6BETA-[2-(1-H-IMIDAZOL-4-YL)-ETHYLAMINO]-CHOLESTAN-3BETA-OL ANALOGUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME FOR USE IN THE TREATMENT OF CANCER

  摘要：

  The invention relates to a novel compound of general formula (I): and/or a pharmaceutically acceptable salt of such a compound, to a pharmaceutical composition comprising at least said compound, for its use as a medicament for shrinking a mammalian cancerous tumor.

  公开号：

  US20230391817A1
• 作为产物：
  描述：

  胆固醇 在 三氟化硼乙醚 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 (β-cholesteryl)(methyl)sulfane
  参考文献：
  名称：

  5ALPHA-HYDROXY-6BETA-[2-(1-H-IMIDAZOL-4-YL)-ETHYLAMINO]-CHOLESTAN-3BETA-OL ANALOGUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME FOR USE IN THE TREATMENT OF CANCER

  摘要：

  The invention relates to a novel compound of general formula (I): and/or a pharmaceutically acceptable salt of such a compound, to a pharmaceutical composition comprising at least said compound, for its use as a medicament for shrinking a mammalian cancerous tumor.

  公开号：

  US20230391817A1

文献信息

• Preparation of Stereodefined Secondary Alkyllithium Compounds
  作者：Stephanie Seel、Guillaume Dagousset、Tobias Thaler、Annette Frischmuth、Konstantin Karaghiosoff、Hendrik Zipse、Paul Knochel

  DOI：10.1002/chem.201204076

  日期：2013.4.2

  We have developed a practical stereoretentive iodine/lithium‐exchange process that allows the stereodefined preparation of cis‐ and trans‐cycloalkyllithium compounds from their corresponding stereodefined iodides. Quenching with electrophiles offers stereospecific access to both cis‐ (up to 96 % cis) and trans‐cycloalkyl derivatives (up to 99 % trans). A detailed study of the thermodynamic stabilities

  我们开发了一种实用的立体保留碘/锂交换方法，该方法可以从其相应的立体定义的碘化物中立体定义制备顺式和反式环烷基锂化合物。用亲电试剂猝灭可同时获得顺式（最多96％顺式）和反式-环烷基衍生物（最多99％反式）的立体定向。报告了对轴向和赤道取代的环己基锂试剂的热力学稳定性，立体化学行为和反应性的详细研究。从头算计算表明，低聚环己基锂结构的形成对于解释观察到的立体化学偏好至关重要。
• Sulphur-containing Steroid Derivatives
  作者：A. S. JONES、F. SMITH、M. WEBB

  DOI：10.1038/162857b0

  日期：1948.11

  derived from bile acids and sterols which contained basic groups, such as the amino-, amidino- and guanido-groups. In general, these derivatives were bacteriostatic for Gram-positive bacteria, but had little activity against Gram-negative organisms. Whereas surface tension measurements seemed to reveal a relationship between the bacteriostatic and surface activities of the bile acids and their anionic

  以前的通讯 1,2 记录了源自胆汁酸和甾醇的抗菌化合物的合成，这些化合物含有碱性基团，例如氨基、脒基和胍基。一般来说，这些衍生物对革兰氏阳性菌具有抑菌作用，但对革兰氏阴性菌几乎没有活性。虽然表面张力测量似乎揭示了胆汁酸及其阴离子衍生物的抑菌和表面活性之间的关系，但在一系列碱性类固醇化合物的性质中，这种关系并不明显。在这些研究的扩展中，我们合成并研究了几种水溶性、含硫、类固醇衍生物。
• 5ALPHA-HYDROXY-6BETA-[2-(1-H-IMIDAZOL-4-YL)-ETHYLAMINO]-CHOLESTAN-3BETA-OL ANALOGUES AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME FOR USE IN THE TREATMENT OF CANCER
  申请人：DENDROGENIX

  公开号：US20230391817A1

  公开（公告）日：2023-12-07

  The invention relates to a novel compound of general formula (I): and/or a pharmaceutically acceptable salt of such a compound, to a pharmaceutical composition comprising at least said compound, for its use as a medicament for shrinking a mammalian cancerous tumor.