(1R,5Z)-5-[(2E)-2-[(1R,7Ar)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-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,5Z)-5-[(2E)-2-[(1R,7Ar)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
• 化学式: C₂₇H₄₄O₃
• 分子量: 416.6
• InChiKey: GMRQFYUYWCNGIN-VSNVVVHESA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  60.7
• 氢给体数：
  3
• 氢受体数：
  3

文献信息

• [EN] HISTONE METHYLTRANSFERASE INHIBITORS<br/>[FR] INHIBITEURS DE L'HISTONE MÉTHYLTRANSFÉRASE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2018119208A1

  公开（公告）日：2018-06-28

  The present disclosure provides certain angular tricyclic compounds that are histone methyltransi erases G9a and/or GLP inhibitors and are therefore useful for the treatment of diseases treatable by inhibition of G9a and/or GLP such as cancers and hemoglobinpathies (e.g., beta- thalassemia and sickle cell disease). Also provided are pharmaceutical compositions containing such compounds and processes for preparing such compounds.

  本公开提供了一些角三环化合物，这些化合物是组蛋白甲基转移酶G9a和/或GLP的抑制剂，因此可用于治疗可以通过抑制G9a和/或GLP来治疗的疾病，例如癌症和血红蛋白病（例如，β-地中海贫血和镰状细胞病）。还提供了含有这些化合物的药物组合物以及制备这些化合物的方法。
• [EN] SYNTHESIS AND BIOLOGICAL ACTIVITY OF 2-METHYLENE ANALOGS OF CALCITRIOL AND RELATED COMPOUNDS<br/>[FR] SYNTHÈSE ET ACTIVITÉ BIOLOGIQUE D'ANALOGUES 2-MÉTHYLÈNE DU CALCITRIOL ET DE COMPOSÉS APPARENTÉS
  申请人：WISCONSIN ALUMNI RES FOUND

  公开号：WO2017023617A1

  公开（公告）日：2017-02-09

  Disclosed are 2-methylene analogs of vitamin D3 and related compounds, their biological activities, and various pharmaceutical uses for these analogs. Particularly disclosed are 1α-hydroxy-2-methylene-vitamin D3, (20S)-1α-hydroxy-2-methylene- vitamin D3, and (5E)- 1α,25-dihydroxy-2-methylene- vitamin D3, their biological activities, and various pharmaceutical uses for these compounds including methods of treating and/or preventing bone diseases and disorders.

  公开了维生素D3的2-亚甲基类似物及相关化合物，它们的生物活性以及这些类似物的各种药用用途。特别公开了1α-羟基-2-亚甲基-维生素D3、(20S)-1α-羟基-2-亚甲基-维生素D3和(5E)-1α,25-二羟基-2-亚甲基-维生素D3，它们的生物活性以及这些化合物的各种药用用途，包括治疗和/或预防骨骼疾病和失调的方法。
• 3-Desoxy-2-Methylene-Vitamin D Analogs and Their Uses
  申请人：WISCONSIN ALUMNI RESEARCH FOUNDATION

  公开号：US20130102567A1

  公开（公告）日：2013-04-25

  This invention discloses 3-desoxy-2-methylene-vitamin D analogs, and specifically (20S)-3-desoxy-1α,25-dihydroxy-2-methylene-vitamin D 3 and (20R)-3-desoxy-1α, 25-dihydroxy-2-methylene-vitamin D 3 as well as pharmaceutical uses therefor. These compounds exhibit relatively high binding activity and pronounced activity in arresting the proliferation of undifferentiated cells and inducing their differentiation to monocytes thus evidencing use as anti-cancer agents especially for the treatment or prevention of osteosarcoma, leukemia, colon cancer, breast cancer, skin cancer or prostate cancer. These compounds also exhibit relatively high calcemic activity evidencing use in the treatment of bone diseases.

  本发明公开了3-脱氧-2-亚甲基-维生素D类似物，尤其是(20S)-3-脱氧-1α,25-二羟基-2-亚甲基-维生素D3和(20R)-3-脱氧-1α,25-二羟基-2-亚甲基-维生素D3以及其医药用途。这些化合物具有相对较高的结合活性和显著抑制未分化细胞增殖并诱导其向单核细胞分化的活性，因此可用作抗癌剂，特别用于治疗或预防骨肉瘤、白血病、结肠癌、乳腺癌、皮肤癌或前列腺癌。这些化合物还具有相对较高的钙调活性，可用于治疗骨骼疾病。
• LOW-CALCEMIC 16,23-DIENE 25-OXIME ANALOGS OF 1ALPHA,25-DIHYDROXY VITAMIN D3
  申请人：Saha Uttam

  公开号：US20090082317A1

  公开（公告）日：2009-03-26

  The present invention provides novel 16,23-diene 25-oxime ether analogs of 1,25-dihydroxy vitamin D3, compositions comprising these compounds and methods of using these compounds as inhibitors of CYP24. In particular, the novel compound of the invention are useful for treating diseases which benefit from a modulation of the levels of 1,25-dihydroxy vitamin D3, for example, cell-proliferative disorders.

  本发明提供了一种新颖的1,25-二羟基维生素D3的16,23-二烯-25-氧基醚类似物，包括含有这些化合物的组合物以及将这些化合物用作CYP24抑制剂的方法。特别是，本发明的这种新颖化合物对于治疗受益于调节1,25-二羟基维生素D3水平的疾病是有用的，例如，细胞增殖紊乱。
• METHODS AND SYSTEMS FOR DESIGNING AND/OR CHARACTERIZING SOLUBLE LIPIDATED LIGAND AGENTS
  申请人：TUFTS MEDICAL CENTER

  公开号：US20160052982A1

  公开（公告）日：2016-02-25

  The present application provides methods for preparing soluble lipidated ligand agents comprising a ligand entity and a lipid entity, and in some embodiments, provides relevant parameters of each of these components, thereby enabling appropriate selection of components to assemble active agents for any given target of interest.

  本申请提供了制备可溶性脂质化配体药剂的方法，包括配体实体和脂质实体，并在某些实施例中提供了这些组分的相关参数，从而使得能够适当选择组分来组装出针对任何感兴趣的靶点的活性药剂。