vitamin D₃ | 53954-32-8

• 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: vitamin D₃
• 英文别名: 3-deoxy-1α-hydroxycholecalciferol；(1S)-3-deoxy-1-hydroxy-vitamin D₃；1alpha-hydroxy-3-deoxyvitamin D3/1alpha-hydroxy-3-deoxycholecalciferol；(1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexan-1-ol
• CAS: 53954-32-8
• 化学式: C₂₇H₄₄O
• 分子量: 384.646
• InChiKey: QQBZCLIYDXEZBI-PWMYWQCASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.8
• 重原子数：
  28
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  vitamin D₃ 以 异辛烷 为溶剂， 反应 8.0h， 以10%的产率得到(1S,6Z)-1-hydroxy-9,10-secocholesta-5(10),6,8-triene
  参考文献：
  名称：

  Studies on vitamin D (calciferol) and its analogs. 18. The vinylallene approach to the 1-hydroxyvitamin D system. New sigmatropic reactions in the vitamin D series

  摘要：

  DOI：

  10.1021/ja00540a014
• 作为产物：
  描述：

  维生素 D3 在 正丁基锂 、 臭氧 作用下， 以 四氢呋喃 、 异辛烷 、 正己烷 为溶剂， 反应 15.0h， 生成 vitamin D₃
  参考文献：
  名称：

  Studies on vitamin D (calciferol) and its analogs. 18. The vinylallene approach to the 1-hydroxyvitamin D system. New sigmatropic reactions in the vitamin D series

  摘要：

  DOI：

  10.1021/ja00540a014

文献信息

• [EN] 26,26,26,27,27,27-HEXAFLUORO-1 alpha ,25-DIHYDROXYCHOLECALCIFEROL AND PROCESS FOR PREPARING SAME
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：WO1983000335A1

  公开（公告）日：1983-02-03

  (EN) New derivative of vitamin D, 26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxycholecalciferol, a process for preparing the same, and novel intermediate compounds. The compound is characterized by vitamin D-like activity substantially greater than that exhibited by 1alpha,25-dihydroxycholecalciferol which is considered to be the active hormonal form of vitamin D. The compound would find ready application as a substitute for vitamin D and in the treatment of or prophylaxsis for disease states evincing metabolic calcium and phosphorous deficiences or imbalances. (FR) Nouveau procédé de la vitamine D, le 26, 26, 26, 27, 27, 27-héxafluoro-1alpha,25-dihydroxycholecalciférol, son procédé de préparation et nouveaux composés intermédiaires. Le composé se caractérise par une activité analogue à celle de la vitamine D mais sensiblement plus importante que celle présentée par le 1alpha, 25-dihydroxycholécalciférol, que l'on considère être la forme hormonale active de la vitamine D. Le composé peut être utilisé en tant que substitut de la vitamine D et dans le traitement ou dans la prophylaxie d'états pathologiques indiquant des carences ou des déséquilibres dans le calcium et le phosphore métaboliques.

  一种新的维生素D衍生物，26,26,26,27,27,27-六氟-1alpha,25-二羟基胆钙化醇，以及制备该衍生物的方法和新的中间体化合物。该化合物的维生素D样活性明显高于被认为是维生素D的活性激素形式的1alpha,25-二羟基胆钙化醇。该化合物可作为维生素D的替代品，并用于治疗或预防代谢性钙和磷缺乏或失衡的疾病状态。
• Methods for detecting binding of low-molecular-weight compound and its binding partner molecule
  申请人：Esaki Keiko

  公开号：US20050084908A1

  公开（公告）日：2005-04-21

  A method for detecting the binding between a binding molecule and an immobilized low-molecular-weight compound is provided. The method comprises a step of measuring volume changes due to the binding of both compounds as an indicator. The use of immobilized low-molecular-weight compound produces highly reliable measuring results in terms of surface plasmon resonance, etc. The detection method of this invention is useful for screening for low-molecular-weight compounds that bind to binding molecules, or binding molecules that bind to low-molecular-weight compounds.

  提供了一种检测结合分子和固定低分子量化合物之间结合的方法。该方法包括测量由于两种化合物结合而产生的体积变化作为指标的步骤。使用固定低分子量化合物可在表面等离子共振等方面产生高度可靠的测量结果。本发明的检测方法对于筛选结合到低分子量化合物的结合分子或结合到结合分子的低分子量化合物非常有用。
• PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF SECONDARY HYPERPARATHYROIDISM AND THERAPEUTIC AGENTS FOR CARDIOVASCULAR COMPLICATIONS RESULTING FROM THE TREATMENT FOR SECONDARY HYPERPARATHYROIDISM.
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1402893A1

  公开（公告）日：2004-03-31

  An object of the present invention is to provide a pharmaceutical composition for the treatment of secondary hyperparathyroidism, which can reduce the risk of inducing cardiovascular complications associated with calcification, as well as a therapeutic or prophylactic agent for cardiovascular complications (e.g., arteriosclerosis, ischemic heart disease) associated with calcification resulting from the treatment of secondary hyperparathyroidism in a hemodialysis patient. The present invention provides a pharmaceutical composition for the treatment of secondary hyperparathyroidism, which comprises, as an active ingredient, a vitamin D derivative not having an inducing action on cardiovascular complications associated with calcification, as well as a therapeutic agent for cardiovascular complications associated with calcification resulting from the treatment of secondary hyperparathyroidism in a hemodialysis patient, which comprises 1α,3β-dihydroxy-20S-(3-hydroxy-3-methylbutyloxy)-9,10-seco-5,7,10(19)-pregnatriene as an active ingredient.

  本发明的目的是提供一种用于治疗继发性甲状旁腺功能亢进症的药物组合物，它可以降低诱发与钙化相关的心血管并发症的风险，同时也是一种治疗或预防血液透析患者因治疗继发性甲状旁腺功能亢进症而导致的与钙化相关的心血管并发症（如动脉硬化、缺血性心脏病）的药物。 本发明提供了一种用于治疗继发性甲状旁腺功能亢进症的药物组合物，其作为一种活性成分，包含一种对与钙化相关的心血管并发症不具有诱导作用的维生素 D 衍生物、以及一种治疗血液透析患者因治疗继发性甲状旁腺功能亢进症而引起的与钙化相关的心血管并发症的治疗剂，其活性成分包括1α,3β-二羟基-20S-(3-羟基-3-甲基丁酰氧基)-9,10-seco-5,7,10(19)-孕三烯。
• FERROCENE COMPOUND AND USE THEREOF
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1533316A1

  公开（公告）日：2005-05-25

  The present invention provides a novel ferrocene compound; a reagent containing the compound; a high-sensitivity method of measuring a vitamin D compound using the reagent; etc. Specifically, a ferrocene compound represented by the following formula (1): is reacted with a vitamin D compound and the combined compound of these compounds is subjected to LC/ESI-MS/MS. Thus, the VD compound can be measured with higher sensitivity than in conventional techniques. The ferrocene compound of the present invention is extremely useful as a derivatization agent when a VD compound is measured by LC/ESI-MS/MS. The obtained compound wherein the ferrocene compound and the VD compound have been combined with each other, is useful as, e.g., a labeled compound, when the VD compound is measured by LC/ESI-MS/MS.

  本发明提供了一种新型二茂铁化合物；一种含有该化合物的试剂；一种使用该试剂测量维生素 D 化合物的高灵敏度方法等。具体地说，由下式（1）代表的二茂铁化合物： 与维生素 D 化合物反应，然后将这些化合物的组合物进行 LC/ESI-MS/MS 分析。因此，与传统技术相比，二茂铁化合物的测量灵敏度更高。当通过 LC/ESI-MS/MS 测量 VD 化合物时，本发明的二茂铁化合物作为衍生剂非常有用。二茂铁化合物和 VD 化合物相互结合后得到的化合物，在用 LC/ESI-MS/MS 测量 VD 化合物时，可用作标记化合物等。
• Medicinal compositions for treating secondary parathyroid hyperfunction and remedies for cardiovascular complications in association with treatment for secondary parathyroid hyperfunction
  申请人：——

  公开号：US20040248859A1

  公开（公告）日：2004-12-09

  An object of the present invention is to provide a pharmaceutical composition for the treatment of secondary hyperparathyroidism, which can reduce the risk of inducing cardiovascular complications associated with calcification, as well as a therapeutic or prophylactic agent for cardiovascular complications (e.g., arteriosclerosis, ischemic heart disease) associated with calcification resulting from the treatment of secondary hyperparathyroidism in a hemodialysis patient. The present invention provides a pharmaceutical composition for the treatment of secondary hyperparathyroidism, which comprises, as an active ingredient, a vitamin D derivative not having an inducing action on cardiovascular complications associated with calcification, as well as a therapeutic agent for cardiovascular complications associated with calcification resulting from the treatment of secondary hyperparathyroidism in a hemodialysis patient, which comprises 1&agr;,3&bgr;-dihydroxy-20S-(3-hydroxy-3-methylbutyloxy)-9,10-seco-5,7,10(19)-pregnatriene as an active ingredient.

  本发明的目的是提供一种用于治疗继发性甲状旁腺功能亢进症的药物组合物，它可以降低诱发与钙化相关的心血管并发症的风险，同时也是一种治疗或预防血液透析患者因治疗继发性甲状旁腺功能亢进症而导致的与钙化相关的心血管并发症（如动脉硬化、缺血性心脏病）的药物。 本发明提供了一种用于治疗继发性甲状旁腺功能亢进症的药物组合物，其作为一种活性成分，包括一种对与钙化相关的心血管并发症不具有诱导作用的维生素 D 衍生物，以及一种治疗血液透析患者因治疗继发性甲状旁腺功能亢进症而导致的与钙化相关的心血管并发症的治疗剂，其包括 1&agr；,3&bgr;-二羟基-20S-(3-羟基-3-甲基丁酰氧基)-9,10-seco-5,7,10(19)-孕三烯作为活性成分。