5b-雄甾烷-17b-羧酸 | 438-08-4

• 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
• 中文名称: 5b-雄甾烷-17b-羧酸
• 英文名称: Etiocholanic acid
• 英文别名: 5β-androstane-carboxylic acid-(17β)；5β-Androstan-carbonsaeure-(17β)；(5β,17β)-androstane-17-carboxylic acid；Etianic acid；(5S,8R,9S,10S,13S,14S,17S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-17-carboxylic acid
• CAS: 438-08-4
• 化学式: C₂₀H₃₂O₂
• 分子量: 304.473
• InChiKey: PBXJGQQGODZSQR-WQBJWTDHSA-N

物化性质

• 熔点：
  228-229°
• 沸点：
  385.28°C (rough estimate)
• 密度：
  1.0279 (rough estimate)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.95
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5b-雄甾烷-17b-羧酸 在 盐酸 、 乙醇 作用下， 生成 5β-androstane-carboxylic acid-(17β)-ethyl ester
  参考文献：
  名称：

  Wieland; Schlichting; Jacobi, Hoppe-Seyler's Zeitschrift fur Physiologische Chemie, 1926, vol. 161, p. 80,102

  摘要：

  DOI：
• 作为产物：
  描述：

  (3R,5R,8R,9S,10S,13S,14S,17S)-3-羟基-10,13-二甲基-2,3,4,5,6,7,8,9,11,12,14,15,16,17-十四氢-1H-环戊二烯并[a]菲-17-羧酸 在 chromium(VI) oxide 、 盐酸 、 amalgamated zinc 、 溶剂黄146 作用下， 生成 5b-雄甾烷-17b-羧酸
  参考文献：
  名称：

  Δ 5 -3-氧- ATIO-cholensäureUND einige ihrer Umwandlungsprodukte

  摘要：

  DOI：

  10.1002/hlca.193702001150

文献信息

• COMPOSITIONS AND TREATMENT METHODS-2
  申请人：Frincke James M.

  公开号：US20100222425A1

  公开（公告）日：2010-09-02

  The invention relates to the use of compounds to treat a number of conditions, such as thrombocytopenia, neutropenia or the delayed effects of radiation therapy. Compounds that can be used in the invention include methyl-2,3,4-trihydroxy-1-O-(7,17-dioxoandrost-5-ene-3β-yl)-β-D-glucopyranosiduronate, 16α,3α-dihydroxy-5α-androstan-17-one or 3,7,16,17-tetrahydroxyandrost-5-ene, 3,7,16,17-tetrahydroxyandrost-4-ene, 3,7,16,17-tetrahydroxyandrost-1-ene or 3,7,16,17-tetrahydroxyandrostane that can be used in the treatment method.

  本发明涉及使用化合物治疗多种疾病，例如血小板减少症、中性粒细胞减少症或放射治疗的延迟影响。可以在本发明中使用的化合物包括甲基-2,3,4-三羟基-1-O-(7,17-二氧代雄烯-5-烯-3β-基)-β-D-葡萄糖吡喃糖醇酸酯、16α,3α-二羟基-5α-雄甾烷-17-酮或3,7,16,17-四羟基雄烯-5-烯、3,7,16,17-四羟基雄烯-4-烯、3,7,16,17-四羟基雄烯-1-烯或3,7,16,17-四羟基雄烷。这些化合物可以用于治疗方法中。
• EXTERNAL DERMAL COMPOSITION FOR ANTI-AGEING AND METHOD FOR PRODUCING THE SAME
  申请人：HAYASHIBARA CO., LTD.

  公开号：US20150342854A1

  公开（公告）日：2015-12-03

  The present invention has an object to provide an external dermal composition for anti-ageing, which prevents or improves apparent skin problems such as wrinkles, fine wrinkles, blemishes, and saggings caused by increasing age or ageing; and maintains or improves the barrier function and the hyaluronic acid production in the skin. The object is solved by providing an external dermal composition for anti-ageing, which contains an aqueous medium as a base material and one or more ingredients selected from L-ascorbic acid, derivatives thereof, and their salts as an effective ingredient(s).

  本发明的目的是提供一种用于抗衰老的外用皮肤组成物，该组成物可以预防或改善因年龄增长或衰老引起的皮肤问题，如皱纹、细纹、斑点和下垂，并维持或改善皮肤的屏障功能和透明质酸的产生。本发明通过提供一种外用皮肤组成物来实现该目的，该组成物包含水性介质作为基材料，并含有一种或多种从L-抗坏血酸、其衍生物和它们的盐中选择的成分作为有效成分。
• Thio etianic acid derivatives, their preparation and pharmaceutical use
  申请人：——

  公开号：EP0004741A3

  公开（公告）日：1979-11-14

  Thio etianic acid derivatives of the formula wherein X' is hydrogen, fluoro, or chloro;X2 is hydrogen, fluoro, chloro or bromo;X3 is =C=O Cl may also be =C when X2 is chloro; HR is alkyl of 1 to 6 carbon atoms, or phenyl or benzyl optionally substituted with a substituent on the phenyl ring which is alkyl of 1 to 4 carbon atoms, alkoxy of 1 to 4 carbon _ atoms or halo;R1 is hydrogen or alkanoyl of 2 to 6 carbon atoms when R2 is hydrogen, a-methyl or β-methyl or OR1 and R2 together are 16a, 17a-isopropylidenedioxy; and the solid and broken lines between C-1 and C-2 represent a double or single bond; are useful an anti-inflammatory steroids. They can be prepared by reacting the corresponding 17β-carboxylic acid or a reactive derivative thereof with an alkali metal salt of RSH.

  式中的硫代乙酸衍生物 其中 X' 是氢、氟或氯；X2 是氢、氟、氯或溴；X3 是 =C=O Cl 当 X2 是氯时，也可以是 =C；HR 是 1 至 6 个碳原子的烷基，或苯基或苄基，任选被苯基环上的 1 至 4 个碳原子的烷基、1 至 4 个碳 _ 原子的烷氧基或卤素取代；当 R2 为氢、a-甲基或 β-甲基时，R1 为氢或 2 至 6 个碳原子的烷酰基，或 OR1 和 R2 一起为 16a、17a-异亚丙基二氧基；C-1 和 C-2 之间的实线和断线代表双键或单键。它们可以通过相应的 17β 羧酸或其活性衍生物与 RSH 的碱金属盐反应来制备。
• 4-Halo etianic acids and derivatives thereof, their pharmaceutical use and preparation
  申请人：SYNTEX (U.S.A.) INC.

  公开号：EP0004772A2

  公开（公告）日：1979-10-17

  4-Halo-etianic acids and derivations of the formula: wherein X1 is fluoro or chloro; X2 is fluoro, chloro or hydrogen; X3 is fluoro, chloro, bromo or hydrogen; X4 is =C=O or of may be when X3 is chloro; R is hydrogen, alkyl of one to six carbon atoms optionally substituted with one halo, or phenyl or benzyl optionally substituted on the phenyl ring with a substituent selected from alkyl of one to four carbon atoms, alkoxy of one to four atoms and halo; R' is hydrogen or alkanoyl of 2 to 6 carbon atoms; R2 is hydrogen, a-methyl or β-methyl; and the solid and broken lines between C-1 and C-2 represent a double or a single bond. The compounds wherein R is other than hydrogen are useful as anti-inflammatory agents. They can be prepared by esterifying the corresponding acid. The 17a-esters can be prepared by esterifying the corresponding 17a-hydroxy compounds. The 17β-carboxylic group can be introduced by oxidising the corresponding 20-oxo-21-hydroxy (or alkanoyloxy) compound. The double bond at the 4,5 position is produced by contacting the corresponding Δ5 compound with a base.

  4-Halo-etianic acids 及其衍生物式： 其中 X1 是氟或氯 X2 是氟、氯或氢 X3 是氟、氯、溴或氢； X4 是 =C=O 或 的可以是 当 X3 为氯时； R 是氢、1 至 6 个碳原子的烷基，可选择被 1 个卤素取代，或苯基或苄基， 在苯基环上可选择被选自 1 至 4 个碳原子的烷基、1 至 4 个原子的烷氧基和卤素的取代基取代； R' 是氢或 2 至 6 个碳原子的烷酰基； R2 是氢、a-甲基或 β-甲基；以及 C-1 和 C-2 之间的实线和断线代表双键或单键。其中 R 为氢以外的化合物可用作抗炎剂。它们可以通过酯化相应的酸来制备。17a-酯可通过酯化相应的 17a- 羟基化合物制备。17β-羧基可以通过氧化相应的 20-氧代-21-羟基（或烷酰氧基）化合物来引入。4,5 位的双键是通过相应的 Δ5 化合物与碱接触产生的。
• Method for preparing a vaccine from Streptococcus mutans for dental caries and vaccinal compositions for dental caries used as nasal drops
  申请人：LION CORPORATION

  公开号：EP0400569A2

  公开（公告）日：1990-12-05

  A method for preparing a vaccine for dental caries comprises the step of culturing a variant which is obtained by integrating a protein antigen (PAc)-expressing gene into the chromosomal gene of a Streptococcus mutans GS-5 strain to obtain the protein antigen, the protein antigen being produced on the surface of cells of oral Streptococcus mutans or it being extracellularly produced by the microorganism and having a molecular weight ranging from about 170,000 to 220,000. Streptococcus mutans GS-5 (K-3), in which a protein antigen-expressing gene is integrated into the chromosomal gene thereof, has an ability of producing the protein antigen on the surface of the cells or extracellularly. A preventive vaccine composition for dental caries for nasal drops comprises the protein antigen thus produced by the strain: Streptcoccus mutans, the vaccine being intranasally administered. The method makes it possible to enhance the yield of PAc and to simplify processes for purifying PAc. The vaccine composition makes it possible to internally easily absorb the protein antigen, PAc, in high efficiency and it also makes it possible to effectively increase the antibody titer observed after the administration thereof. 1

  一种制备龋齿疫苗的方法包括培养变异株的步骤，该变异株是通过将蛋白抗原（PAc）表达基因整合到变异链球菌GS-5菌株的染色体基因中而获得蛋白抗原的，该蛋白抗原产生于口腔变异链球菌的细胞表面，或由微生物在细胞外产生，分子量范围约为170,000至220,000。变异链球菌 GS-5（K-3）的染色体基因中含有蛋白抗原表达基因，具有在细胞表面或细胞外产生蛋白抗原的能力。一种用于滴鼻的龋齿预防性疫苗组合物包含由该菌株产生的蛋白抗原：该疫苗经鼻内注射。该方法可以提高 PAc 的产量，简化纯化 PAc 的过程。该疫苗组合物可以在内部轻松高效地吸收蛋白抗原 PAc，还可以有效提高给药后观察到的抗体滴度。1