4-(乙酰氧基甲基)-5-(羟甲基)-2-甲基吡啶-3-基乙酸酯 | 60690-80-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: 4-(乙酰氧基甲基)-5-(羟甲基)-2-甲基吡啶-3-基乙酸酯
• 英文名称: Pyridoxin-3,4-diacetat
• 英文别名: [3-Acetyloxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methyl acetate
• CAS: 60690-80-4
• 化学式: C₁₂H₁₅NO₅
• 分子量: 253.255
• InChiKey: QAQASMDGPZZYIS-UHFFFAOYSA-N

物化性质

• 熔点：
  90-92 °C
• 沸点：
  368.8±42.0 °C(Predicted)
• 密度：
  1.246±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  18
• 可旋转键数：
  6
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  85.7
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  4-(乙酰氧基甲基)-5-(羟甲基)-2-甲基吡啶-3-基乙酸酯 在 chromium(VI) oxide 、 溶剂黄146 作用下， 生成 5-acetoxy-4-acetoxymethyl-6-methyl-nicotinic acid
  参考文献：
  名称：

  Testa; Fava, Chimia, 1957, vol. 11, p. 307

  摘要：

  DOI：
• 作为产物：
  描述：

  吡哆醇盐酸盐 在 吡啶 、 Candida antarctica lipase 、 乙醇 作用下， 反应 24.0h， 生成 4-(乙酰氧基甲基)-5-(羟甲基)-2-甲基吡啶-3-基乙酸酯
  参考文献：
  名称：

  Lipase-Catalyzed Acylation and Deacylation Reactions of Pyridoxine, a Member of Vitamin-B6 Group

  摘要：

  A series of acyloxy derivatives of pyridoxine (1) have been prepared by transesterification reactions of 1 and ethyl carboxylates, catalyzed by several lipases. Moreover, acetylated derivatives of 1 were selectively deacetylated by enzymatic catalysis in organic media.

  DOI：

  10.1002/(sici)1522-2675(19981216)81:12<2407::aid-hlca2407>3.0.co;2-x

文献信息

• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND INFLAMMATION<br/>[FR] COMPOSITIONS ET PROCÉDÉS POUR LE TRAITEMENT DE MALADIES NEUROLOGIQUES ET D'UNE INFLAMMATION
  申请人：KANDULA MAHESH

  公开号：WO2014115098A1

  公开（公告）日：2014-07-31

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I; and methods for treating or preventing neurological diseases and inflammation, a neurological disease, allergy, respiratory diseases or inflammatory disorder may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of muscle disorders, neurological diseases and inflammation, spasticity, neuropathic pain, fibromyalgia, Parkinson's disease, allergy, asthma, chronic obstructive pulmonary disease, allergic rhinitis, headache, chronic pain, sub-chronic pain and local pain or its associated complications.

  该发明涉及具有化学式I或其药用可接受的盐的化合物，以及其多型、溶剂合物、对映体、立体异构体和水合物。包括化学式I化合物的有效量的药物组合物；以及用于治疗或预防神经系统疾病和炎症、神经系统疾病、过敏、呼吸系统疾病或炎症性疾病的方法，可以制备用于口服、颊内、直肠、局部、经皮、经粘膜、静脉内、肠道、糖浆或注射的药物组合物。这些组合物可以用于治疗肌肉障碍、神经系统疾病和炎症、痉挛、神经病性疼痛、纤维肌痛、帕金森病、过敏、哮喘、慢性阻塞性肺病、过敏性鼻炎、头痛、慢性疼痛、亚慢性疼痛和局部疼痛或其相关并发症的治疗。
• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISEASES<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT DE MALADIES MÉTABOLIQUES
  申请人：KANDULA MAHESH

  公开号：WO2015028927A1

  公开（公告）日：2015-03-05

  The invention relates to the compounds of formula I or its pharmaceutical acceptable salts, as well as polymorphs, solvates, enantiomers, stereoisomers and hydrates thereof. The pharmaceutical compositions comprising an effective amount of compounds of formula I, and methods for the treatment of metabolic diseases may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of depression, liver disease, and the pain of osteoarthritis, cancer, Parkinson's disease, cancer, cardiovascular diseases, diabetes, hyperglycemia and other metabolic diseases which involve deficiency of SAM.

  该发明涉及公式I的化合物或其药用可接受的盐，以及其多晶型、溶剂合物、对映体、立体异构体和水合物。包括公式I化合物的有效量的药物组合物，以及用于治疗代谢疾病的方法可以制成口服、颊下、直肠、局部、经皮、经粘膜、静脉、肠道、糖浆或注射剂形式。这些组合物可以用于治疗抑郁症、肝病、骨关节炎疼痛、癌症、帕金森病、癌症、心血管疾病、糖尿病、高血糖和其他涉及SAM缺乏的代谢性疾病。
• [EN] COMPOUND, COMPOSITION AND USES THEREOF<br/>[FR] COMPOSÉ, COMPOSITION ET UTILISATIONS ASSOCIÉES
  申请人：MOHAN M ALAPATI

  公开号：WO2017017585A1

  公开（公告）日：2017-02-02

  The disclosures herein provide compounds of formula I, formula II, formula III, formula IV and formula V or its pharmaceutical acceptable compositions and salts, as well as polymorphs, enantiomers, stereoisomers, solvates, and hydrates thereof. These compositions or salts may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be used to treatment of neurological and infectious diseases or its associated complications.

  本文披露了公式I、公式II、公式III、公式IV和公式V的化合物，或其药学上可接受的组成物和盐，以及其多晶形、对映异构体、立体异构体、溶剂化物和水合物。这些组成物或盐可以制成药物组成物。药物组成物可以制成口服、颊粘、直肠、局部、经皮、经黏膜、静脉、肌肉注射、糖浆或注射剂等剂型。这些组成物可用于治疗神经系统和传染病或其相关并发症。
• 2-Aminopurine analogs having HSP90-inhibiting activity
  申请人：Kasibhatla Rao Srinivas

  公开号：US20050113340A1

  公开（公告）日：2005-05-26

  2-Aminopurine analogs are described and demonstrated or predicted to have utility as Heat Shock Protein 90 (HSP90) inhibiting agents in the treatment and prevention of various HSP90 mediated disorders, e.g., proliferative disorders. Method of synthesis and use of such compounds are also described and claimed.

  本文描述了2-氨基嘌呤类似物，并展示或预测其作为热休克蛋白90（HSP90）抑制剂，在治疗和预防各种HSP90介导的疾病，例如增殖性疾病方面具有实用性。还描述和声明了这些化合物的合成方法和使用方法。
• 2-Aminopurine Analogs Having HSP90-Inhibiting Activity
  申请人：Kasibhatla Rao Srinivas

  公开号：US20070185064A1

  公开（公告）日：2007-08-09

  2-Aminopurine analogs are described and demonstrated or predicted to have utility as Heat Shock Protein 90 (HSP90) inhibiting agents in the treatment and prevention of various HSP90 mediated disorders, e.g., proliferative disorders. Method of synthesis and use of such compounds are also described and claimed.

  本文描述了2-氨基嘌呤类似物，并证明或预测其在治疗和预防各种HSP90介导的疾病（如增生性疾病）中作为HSP90抑制剂具有实用价值。还描述和声称了这种化合物的合成方法和使用方法。