(R)-3-(o-Methoxyphenyl)-2-methylpropan-1-ol | 264258-78-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (R)-3-(o-Methoxyphenyl)-2-methylpropan-1-ol
• 英文别名: (R)-3-(2-methoxy-phenyl)-2-methyl-propan-1-ol；(2R)-3-(2-methoxyphenyl)-2-methylpropan-1-ol
• CAS: 264258-78-8
• 化学式: C₁₁H₁₆O₂
• 分子量: 180.247
• InChiKey: SIKJORVOXZHMHW-SECBINFHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  13
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 (R)-3-(o-Methoxyphenyl)-2-methylpropan-1-ol 在 吡啶 作用下， 生成 [(2R)-3-(2-methoxyphenyl)-2-methylpropyl] acetate
  参考文献：
  名称：

  MACROCYCLIC GHRELIN RECEPTOR MODULATORS AND METHODS OF USING THE SAME

  摘要：

  本发明提供了一种新颖的构象定义明确的大环化合物，可以作为生长激素分泌素受体（GHS-R1a及其亚型、异构体和变体）的选择性调节剂。本文还描述了合成这些新型化合物的方法。这些化合物可用作生长激素分泌素受体的激动剂，用于治疗和预防一系列医疗状况，包括但不限于代谢和/或内分泌紊乱、胃肠道紊乱、心血管疾病、肥胖和与肥胖相关的疾病、中枢神经系统疾病、骨骼疾病、遗传疾病、过度增生性疾病和炎症性疾病。

  公开号：

  US20080194672A1
• 作为产物：
  描述：

  3-(邻甲氧基苯基)-2-甲基丙醛 在 Amano PS sodium hydroxide 、 乙酸乙烯酯 、 钾硼氢 、 水 作用下， 以 甲醇 为溶剂， 反应 2.5h， 生成 (R)-3-(o-Methoxyphenyl)-2-methylpropan-1-ol
  参考文献：
  名称：

  Kinetic resolution of primary 2-methyl-substituted alcohols via Pseudomonas cepacia lipase-catalysed enantioselective acylation

  摘要：

  研究了来自洋葱伯克霍尔德菌（Pseudomonas cepacia）的脂肪酶（如PFL、Amano PS等）在对一系列一级2-甲基取代醇使用乙酸乙烯酯作为酰基供体进行有机溶剂中的转酯化反应时的对映选择性。在对映选择性方面，最佳结果出现在3-芳基-2-甲基丙-1-醇中，大多数情况下对映体比例（E值）超过100，而其他3-取代的一级2-甲基丙-1-醇通常显示出较低的对映选择性：3-环烷基-2-甲基丙-1-醇（E ≈ 20）和2-甲基烷-1-醇（E ≈ 10）。将芳基团更靠近或远离手性中心会导致低对映选择性：2-芳基丙-1-醇（E < 10）、2-甲基-4-（2-噻吩基）丁-1-醇（E = 12）、2-甲基-5-（2-噻吩基）戊-1-醇（E = 3.2）和2-甲基-6-（2-噻吩基）己-1-醇（E = 3.8）。

  DOI：

  10.1039/a908023f

文献信息

• Tunable <i>P</i>-Chiral Bisdihydrobenzooxaphosphole Ligands for Enantioselective Hydroformylation
  作者：Renchang Tan、Xin Zheng、Bo Qu、C. Avery Sader、Keith R. Fandrick、Chris H. Senanayake、Xumu Zhang

  DOI：10.1021/acs.orglett.6b01452

  日期：2016.7.15

  Air-stable and tunable chiral bisdihydrobenzooxaphosphole ligands (BIBOPs) were employed in rhodium-catalyzed asymmetric hydroformylation of various terminal olefins with excellent conversions (>99%), moderate-to-excellent enantioselectivities (up to 95:5 er), and branched to linear ratios (b:l) of up to 400.

  空气稳定且可调的手性双二氢苯并恶唑磷配体（BIBOP）用于铑催化的各种末端烯烃的不对称加氢甲酰化反应，具有出色的转化率（> 99％），中等至优异的对映选择性（高达95：5 er），并分支为线性比（b：l）高达400。
• MACROCYCLIC ANTAGONISTS OF THE MOTILIN RECEPTOR FOR TREATMENT OF GASTROINTESTINAL DYSMOTILITY DISORDERS
  申请人：Marsault Eric

  公开号：US20100093720A1

  公开（公告）日：2010-04-15

  The present invention provides conformationally-defined macrocyclic compounds that bind to and/or are functional modulators of the motilin receptor including subtypes, isoforms and/or variants thereof. These macrocyclic compounds, at a minimum, possess adequate pharmacological properties to be useful as therapeutics for a range of disease indications. In particular, these compounds are useful for treatment and prevention of disorders characterized by hypermotilinemia and/or gastrointestinal hypermotility, including, but not limited to, diarrhea, cancer treatment-related diarrhea, cancer-induced diarrhea, chemotherapy-induced diarrhea, radiation enteritis, radiation-induced diarrhea, stress-induced diarrhea, chronic diarrhea, AIDS-related diarrhea, C. difficile associated diarrhea, traveller's diarrhea, diarrhea induced by graph versus host disease, other types of diarrhea, dyspepsia, irritable bowel syndrome, chemotherapy-induced nausea and vomiting (emesis) and post-operative nausea and vomiting and functional gastrointestinal disorders. In addition, the compounds possess utility for the treatment of diseases and disorders characterized by poor stomach or intestinal absorption, such as short bowel syndrome, celiac disease and cachexia. The compounds also have use for the treatment of inflammatory diseases and disorders of the gastrointestinal tract, such as inflammatory bowel disease, ulcerative colitis, Crohn's disease and pancreatitis. Accordingly, methods of treating such disorders and pharmaceutical compositions including compounds of the present invention are also provided.

  本发明提供了与胃动素受体及其亚型、异构体和/或变体结合和/或是功能调节剂的构象定义明确的大环化合物。这些大环化合物至少具有足够的药理特性，可用作治疗一系列疾病指示的治疗药物。特别是，这些化合物对于治疗和预防以高胃动素血症和/或胃肠道高蠕动性为特征的疾病非常有用，包括但不限于腹泻、癌症治疗相关腹泻、癌症诱导腹泻、化疗诱导腹泻、放射性肠炎、放射性腹泻、压力诱导腹泻、慢性腹泻、艾滋病相关腹泻、C. difficile相关腹泻、旅行者腹泻、移植物宿主病引起的腹泻、其他类型的腹泻、消化不良、肠易激综合征、化疗诱导的恶心和呕吐（呕吐）以及术后恶心和呕吐和功能性胃肠道疾病。此外，这些化合物对于治疗以胃或肠道吸收不良为特征的疾病和疾病也具有用途，例如短肠综合征、乳糜泻和虚弱。这些化合物还可用于治疗胃肠道炎症性疾病和疾病，如炎症性肠病、溃疡性结肠炎、克罗恩病和胰腺炎。因此，本发明还提供了治疗此类疾病的方法和包括本发明化合物的药物组合物。
• Spatially-defined macrocyclic compounds useful for drug discovery
  申请人：Tranzyme Pharma Inc.

  公开号：EP2316846A2

  公开（公告）日：2011-05-04

  Novel spatially-defined macrocyclic compounds containing specific conformational control elements are disclosed. Libraries of these macrocycles are then used to select one or more macrocycle species that exhibit a specific interaction with a particular biological target. In particular, compounds according to the invention are disclosed as agonists or antagonists of a mammalian motilin receptor and a mammalian ghrelin receptor.

  本研究公开了含有特定构象控制元件的新型空间定义大环化合物。这些大环化合物库可用于选择一种或多种与特定生物靶标发生特定相互作用的大环化合物。特别是，根据本发明的化合物被公开为哺乳动物动情素受体和哺乳动物胃泌素受体的激动剂或拮抗剂。
• Macrocyclic antagonist of the motilin receptor for treatment of gastrointestinal dysmotility disorders
  申请人：Tranzyme Pharma, Inc.

  公开号：EP2431380A2

  公开（公告）日：2012-03-21

  The present invention provides conformationally-defined macrocyclic compounds that bind to and/or are functional modulators of the motilin receptor including subtypes, isoforms and/or variants thereof. These macrocyclic compounds, at a minimum, possess adequate pharmacological properties to be useful as therapeutics for a range of disease indications. In particular, these compounds are useful for treatment and prevention of disorders characterized by hypermotilinemia and/or gastrointestinal hypermotility, including, but not limited to, diarrhea, cancer treatment-related diarrhea, cancer-induced diarrhea, chemotherapy-induced diarrhea, radiation enteritis, radiation-induced diarrhea, stress-induced diarrhea, chronic diarrhea, AIDS-related diarrhea, C. difficile associated diarrhea, traveller's diarrhea, diarrhea induced by graph versus host disease, other types of diarrhea, dyspepsia, irritable bowel syndrome, chemotherapy-induced nausea and vomiting (emesis) and post-operative nausea and vomiting and functional gastrointestinal disorders. In addition, the compounds possess utility for the treatment of diseases and disorders characterized by poor stomach or intestinal absorption, such as short bowel syndrome, celiac disease and cachexia. The compounds also have use for the treatment of inflammatory diseases and disorders of the gastrointestinal tract, such as inflammatory bowel disease, ulcerative colitis, Crohn's disease and pancreatitis. Accordingly, methods of treating such disorders and pharmaceutical compositions including compounds of the present invention are also provided.

  本发明提供了与动情素受体（包括其亚型、同工型和/或变体）结合和/或作为其功能调节剂的构象明确的大环化合物。这些大环化合物至少具有足够的药理特性，可作为一系列疾病适应症的治疗药物。特别是，这些化合物可用于治疗和预防以高胰岛素血症和/或胃肠道高运动性为特征的疾病，包括但不限于腹泻、癌症治疗相关性腹泻、癌症诱导性腹泻、化疗诱导性腹泻、放射性肠炎、放射性诱导性腹泻、压力诱导性腹泻、慢性腹泻、艾滋病相关性腹泻、艰难梭菌相关性腹泻、C.腹泻、艰难梭菌相关性腹泻、旅行者腹泻、图形对宿主疾病诱发的腹泻、其他类型的腹泻、消化不良、肠易激综合征、化疗诱发的恶心和呕吐（呃逆）、术后恶心和呕吐以及功能性胃肠功能紊乱。此外，这些化合物还可用于治疗以胃或肠吸收不良为特征的疾病和失调，如短肠综合征、乳糜泻和恶病质。这些化合物还可用于治疗胃肠道炎症性疾病和紊乱，如炎症性肠病、溃疡性结肠炎、克罗恩病和胰腺炎。因此，还提供了治疗此类疾病的方法和包括本发明化合物的药物组合物。
• tether intermediates for the synthesis of macrocyclic ghrelin receptor modulators
  申请人：Tranzyme Pharma, Inc.

  公开号：EP2644618A1

  公开（公告）日：2013-10-02

  The present invention relates to intermediates of conformationally-defined macrocyclic compounds that bind to and/or are functional modulators of the ghrelin (growth hormone secretagogue) receptor including GHS-R1a and subtypes, isoforms and/or variants thereof and the use of these interemdaites to prepare said macrocyclic compounds.

  本发明涉及与胃泌素（生长激素分泌物）受体（包括 GHS-R1a 及其亚型、同工型和/或变体）结合和/或作为其功能调节剂的构象定义大环化合物的中间体，以及使用这些中间体制备所述大环化合物。