(1R,3R,5Z)-5-[(2E)-2-[(1S,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

• 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: (1R,3R,5Z)-5-[(2E)-2-[(1S,7aS)-1-[(1S)-1-(3-hydroxy-3-methylbutoxy)ethyl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
• 化学式: C₂₆H₄₂O₄
• 分子量: 418.6
• InChiKey: DTXXSJZBSTYZKE-ZAKQEHBSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.77
• 拓扑面积：
  69.9
• 氢给体数：
  3
• 氢受体数：
  4

文献信息

• 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。
• OCT PREPARATIONS
  申请人：CHUGAI SEIYAKU KABUSHIKI KAISHA

  公开号：EP1314428A1

  公开（公告）日：2003-05-28

  An object of the present invention is to provide OCT formulations showing excellent stability. According to the present invention, OCT formulations comprising 1α,25-dihydroxy-22-oxavitamin D3 (OCT) and a pH modifier are provided.

  本发明的目的是提供稳定性极佳的 OCT 制剂。 根据本发明，提供了包含 1α,25-二羟基-22-氧维生素 D3（OCT）和一种 pH 值调节剂的 OCT 制剂。
• Intermediates for the sythesis of vitamin D and steroid derivatives
  申请人：The Trustees of Columbia University in the City of New York

  公开号：EP1426352A2

  公开（公告）日：2004-06-09

  A compound having the structure: wherein n is an integer from 1-5; each of R1 and R2 independently is optionally substituted C1-C6 alkyl; each of W and X is independently hydrogen or C1-C6 alkyl; Y is O, S or NR3 where R3 is hydrogen, C1-C6 alkyl or a protective group; and Z is a CD ring structure of the formula a steroid ring structure of the formula or a vitamin D structure of the formula wherein each of the structures of Z optionally have one or more protected or unprotected substituents and/or one or more protective groups, and wherein any ring of the structure of Z may optionally have one or more unsaturated bonds.

  具有以下结构的化合物 其中 n 是 1-5 的整数；R1 和 R2 各自独立地是任选取代的 C1-C6 烷基；W 和 X 各自独立地是氢或 C1-C6 烷基；Y 是 O、S 或 NR3，其中 R3 是氢、C1-C6 烷基或保护基团；Z 是式 CD 环结构、式类固醇环结构或式维生素 D 结构，其中 Z 的每个结构任选具有一个或多个受保护或不受保护的取代基和/或一个或多个保护基团，Z 结构的任何环可任选具有一个或多个不饱和键。
• Use of biologically active vitamin D compounds for the prevention and treatment of inflammatory bowel disease
  申请人：——

  公开号：US20020128241A1

  公开（公告）日：2002-09-12

  Methods of treating inflammatory bowel disease are described, and in particular the prevention and treatment of inflammatory bowel disease in humans as well as other animals. These methods involve the administration of biologically active vitamin D compounds, and therapeutic compositions thereof, so that the symptoms of Inflammatory Bowel Disease are reduced or relieved.

  本文描述了治疗炎症性肠病的方法，特别是预防和治疗人类及其他动物的炎症性肠病。这些方法包括服用生物活性维生素 D 复合物及其治疗组合物，从而减轻或缓解炎症性肠病的症状。
• Treating vitamin D responsive diseases
  申请人：Northern Lights Pharmaceuticals, LLC

  公开号：US20030109506A1

  公开（公告）日：2003-06-12

  The present invention relates to therapeutics for the prevention and treatment of vitamin D responsive diseases in humans, as well as other animals, through the use of biologically active vitamin D compounds in combination with at least one other immunomodulatory compound such as interleukin-10, interleukin-4, or a TNF&agr; inhibitor.

  本发明涉及通过使用生物活性维生素D化合物与至少一种其他免疫调节化合物（如白细胞介素-10、白细胞介素-4或TNF&agr;抑制剂）联合使用，预防和治疗人类以及其他动物的维生素D反应性疾病的疗法。