1,3-Dihydroxypropan-2-yl 3-oxobutanoate

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 甘油脂
• 英文名称: 1,3-Dihydroxypropan-2-yl 3-oxobutanoate
• 化学式: C₇H₁₂O₅
• 分子量: 176.17
• InChiKey: JUGDUPKFVWGEKF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  12
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  83.8
• 氢给体数：
  2
• 氢受体数：
  5

文献信息

• [EN] N-OXIDES OF 4,5-EPOXY-MORPHINANIUM ANALOGS<br/>[FR] N-OXYDES D'ANALOGUES 4,5-ÉPOXY-MORPHINANIUM
  申请人：PROGENICS PHARM INC

  公开号：WO2009067275A1

  公开（公告）日：2009-05-28

  Novel N-oxides of 4,5-epoxy-morphinanIum analogs are disclosed. Pharmaceutical compositions containing the N-oxides of 4,5-epoxy-morphinanium analogs and methods of their pharmaceutical uses are also disclosed. The compounds disclosed are useful, inter alia, as modulators of opioid receptors.

  揭示了4,5-环氧吗啡啉盐类的新型N-氧化物。还揭示了含有4,5-环氧吗啡啉盐类的N-氧化物的药物组合物，以及它们的药用方法。所揭示的化合物可用作阿片受体调节剂等用途。
• ISOMETHEPTENE ISOMER
  申请人：TONIX PHARMACEUTICALS INC.

  公开号：US20140212486A1

  公开（公告）日：2014-07-31

  The invention relates to a purified Isometheptene compound comprising the structure according to Formula (I), or a hydrochloride, or a pharmaceutically acceptable addition salt thereof. In particular, the disclosure relates to the synthesis, purification and characterization of an Isometheptene isomer mucate crystal 2, wherein the Isometheptene isomer 2 is stereochemically characterized as (R)-enantiomer, respectively. The Isometheptene (R)-enantiomer activity indicates a selective centrally acting selective ligand for Imidazoline subtype 1 (I1) receptor sites; and more specifically, the disclosure provides an antihypertensive composition for treatment of migraine and other neurovascular or neurogenic pain from abdominal distress. (R)-Isometheptene enantiomer or isomer 2 may be an anti-hypertensive agent with lower side effects than the racemate form. Therefore (R)-Isometheptene is believed to be effective against episodic tension-type headaches (ETTH). The (R)-Isometheptene enantiomer or isomer 2 is believed to effectively lower blood pressure, used alone or together with other headache ameliorating drugs. Methods of synthesis and treatment are described. Regarding (R)-Isometheptene crystals data of X-ray crystallography are presented.

  该发明涉及一种纯化的异甲苯丙胺化合物，其结构符合式(I)，或其盐酸盐，或其药用上可接受的加合物。具体而言，该公开涉及异甲苯丙胺异构体粘酸晶体2的合成、纯化和表征，其中异甲苯丙胺异构体2的立体化学特性为(R)-对映体。异甲苯丙胺(R)-对映体活性表明其为咪唑啉亚型1(I1)受体位点的选择性中枢作用选择性配体；更具体地，该公开提供了一种用于治疗偏头痛和其他源自腹部不适的神经血管性或神经源性疼痛的降压组合物。异甲苯丙胺(R)-对映体或异构体2可能是一种抗高血压药物，其副作用较盐酸异甲苯丙胺的形式更少。因此，人们认为异甲苯丙胺(R)对映体对阵发性张力型头痛(ETTH)有效。异甲苯丙胺(R)对映体或异构体2被认为能有效降低血压，可单独使用或与其他缓解头痛药物一起使用。描述了合成和治疗方法。关于异甲苯丙胺(R)晶体的X射线衍射数据已被提供。
• (S)-N-Stereoisomers of 7,8-Saturated-4,5-Epoxy-Morphinanium Analogs
  申请人：Perez Julio

  公开号：US20080207669A1

  公开（公告）日：2008-08-28

  Novel (S)-N-stereoisomers of 7,8-saturated-4,5-epoxy-morphinanium analogs are disclosed. Pharmaceutical compositions containing the (S)-N-stereoisomers of 7,8-saturated-4,5-epoxy-morphinanium analogs and methods for their pharmaceutical uses are also disclosed. Such analogs are disclosed as being useful in treating, among varying conditions, hypermotility of the gastrointestinal tract.

  本专利揭示了7,8-饱和-4,5-环氧-吗啡盐类的（S）-N-立体异构体。还揭示了含有7,8-饱和-4,5-环氧-吗啡盐类（S）-N-立体异构体的药物组合物，以及其药用方法。这些类似物被发现可用于治疗多种情况，包括胃肠道过度运动。
• [EN] COMBINATION THERAPY FOR CONSTIPATION COMPRISING A LAXATIVE AND A PERIPHERAL OPIOID ANTAGONIST<br/>[FR] TRAITEMENT COMBINE DE LA CONSTIPATION COMPRENANT UN LAXATIF ET UN ANTAGONISTE DES OPIOIDES A ACTION PERIPHERIQUE
  申请人：PROGENICS PHARM INC

  公开号：WO2004091665A1

  公开（公告）日：2004-10-28

  Methods for treating constipation are provided. The methods include administration of peripheral opioid antagonists in combination with laxatives and/or stool softeners. Patients treatable by the invention include those refractory to conventional laxative and stool softener therapy.

  提供了治疗便秘的方法。这些方法包括在使用泻药和/或软便剂的同时，给予外周阿片受体拮抗剂。本发明可治疗那些对传统泻药和软便剂疗法无效的患者。
• Synthesis of R-N-methylnaltrexone
  申请人：Doshan D. Harold

  公开号：US20070099946A1

  公开（公告）日：2007-05-03

  This invention relates to stereoselective synthesis of R-MNTX and intermediates thereof, pharmaceutical preparations comprising R-MNTX or intermediates thereof and methods for their use.

  本发明涉及R-MNTX和其中间体的立体选择性合成，包括R-MNTX或其中间体的制药制剂以及使用它们的方法。