4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol; hydron; dichloride

• 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
• 英文名称: 4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol; hydron; dichloride
• 英文别名: 4-(aminomethyl)-5-(hydroxymethyl)-2-methylpyridin-3-ol;hydron;dichloride
• 化学式: C8H14Cl2N2O2
• mdl: MFCD00012808
• 分子量: 241.11
• InChiKey: HNWCOANXZNKMLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.61
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.375
• 拓扑面积：
  79.4
• 氢给体数：
  5
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol; hydron; dichloride 、 氢氟酸 以49%的产率得到
  参考文献：
  名称：

  KOLLONITSCH J.; MARBURG S.; PERKINS L. M., J. ORG. CHEM., 1979, 44, NO 5, 771-777,

  摘要：

  DOI：
• 作为产物：
  描述：

  吡多胺 生成 4-(Aminomethyl)-5-(hydroxymethyl)-2-methyl-3-pyridinol; hydron; dichloride
  参考文献：
  名称：

  [EN] SUBSTITUTED PYRIDOXINE-LACTAM CARBOXYLATE SALTS
  [FR] SELS DE CARBOXYLATE DE PYRIDOXINE-LACTAME SUBSTITUÉS

  摘要：

  本发明提供了盐加合物，其包含至少一个带有正电荷的基团，该基团是吡哆醇或其衍生物，并且至少包含一个羧化的5-至7-成员内酰胺环，可选择性地附加取代基团，以及其制备方法，以及包含它们的制药组合物和药物。本发明的盐加合物和包含它们的组合物可用于治疗与饮酒有关的疾病或障碍。

  公开号：

  WO2010013242A1

文献信息

• SUBSTITUTED PYRIDOXINE-LACTAM CARBOXYLATE SALTS
  申请人：Yamin Rina

  公开号：US20110294859A1

  公开（公告）日：2011-12-01

  The present invention provides salt adducts comprising at least one positively charged moiety being a pyridoxine or a derivative thereof and at least one carboxylated 5- to 7-membered lactam ring, optionally additionally substituted, methods of their preparation, and pharmaceutical compositions and medicaments comprising them. Salt adducts of the invention and compositions comprising them may be used to in the treatment of diseases or disorders associated with or inflicted by alcohol consumption.

  本发明提供了盐加合物，其中至少包含一种带有正电荷的基团，为吡ridoxine或其衍生物，以及至少一种羧化的5-到7-成员内酰胺环，可选择性地另外取代，以及其制备方法，以及包含它们的药物组合物和药物。本发明的盐加合物和包含它们的组合物可用于治疗与酒精消费相关或由酒精消费引起的疾病或疾病。
• [EN] COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS<br/>[FR] COMPOSITIONS ET MÉTHODES DE TRAITEMENT DE TROUBLES MÉTABOLIQUES
  申请人：KANDULA MAHESH

  公开号：WO2013167991A1

  公开（公告）日：2013-11-14

  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 metabolic disorders may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be also used to the treatment of diabetes, lipid peroxidation, hypertriglyceridemia, metabolic disorders, free radical generated due to reactive oxygen and carhonyl groups, ionizing radiation, advanced glycation end products, kidney disease, renal complications and kidney stone disease.

  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，以及治疗或预防代谢紊乱的方法可以制备为口服、颊下、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射。这种组合物也可用于治疗糖尿病、脂质过氧化、高三酸甘油酯血症、代谢紊乱、由于活性氧和羰基生成的自由基、电离辐射、高级糖基化终产物、肾病、肾脏并发症和肾结石病的治疗。
• COMPOSITIONS AND METHODS FOR THE TREATMENT OF METABOLIC DISORDERS
  申请人：Cellixbio Private Limited

  公开号：US20150141468A1

  公开（公告）日：2015-05-21

  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 metabolic disorders may be formulated for oral, buccal, rectal, topical, transdermal, transmucosal, intravenous, parenteral administration, syrup, or injection. Such compositions may be also used to the treatment of diabetes, lipid peroxidation, hypertriglyceridemia, metabolic disorders, free radical generated due to reactive oxygen and carbonyl groups, ionizing radiation, advanced glycation end products, kidney disease, renal complications and kidney stone disease.

  该发明涉及具有化学式I的化合物或其药用可接受的盐，以及其多晶形、溶剂合物、对映体、立体异构体和水合物。包括化合物I的有效量的药物组合物，以及用于治疗或预防代谢紊乱的方法可以制备为口服、颊下、直肠、局部、经皮、经粘膜、静脉、肠道给药、糖浆或注射剂。这种组合物也可用于治疗糖尿病、脂质过氧化、高三酰甘油血症、代谢紊乱、由于活性氧和醛基产生的自由基、电离辐射、高级糖基化终产物、肾病、肾脏并发症和肾结石病。
• [EN] BIODEGRADABLE DRUG-POLYMER CONJUGATE<br/>[FR] CONJUGUÉ MÉDICAMENT-POLYMÈRE BIODÉGRADABLE
  申请人：POLYACTIVA PTY LTD

  公开号：WO2021051149A1

  公开（公告）日：2021-03-25

  A drug-polymer conjugate, which is a copolymer of at least one monomer of formula (I) where: X may be the same or different at each occurrence and represents a terminal functional group comprising an alkyne or an azide; Q is independently selected at each occurrence and may be present or absent and when present, represents a linking group; R is selected from the group consisting of linear or branched hydrocarbon, optionally substituted aryl and optionally substituted heteroaryl; D is a releasable bicyclic prostaglandin; L is a linker group group; and at least one co-monomer of Formula III J-( Y1 –A)n, J represents a linking functional group, n is 2 to 8 preferably 3 to 8; Y1 comprises a polyether of formula (ORa)m wherein Ra is independently ethylene, propylene and butylene and m is from 1 to 300 (preferably 2 to 300) and the polyether is in chain with one or more groups which are preferably selected from one or more of optionally substituted straight or branched C1 to C10 alkylene, amino, ether, ester, amide, carbonate and carbamate; A may be the same or different at each occurrence and represents a group comprising a terminal functional group comprising an alkyne or an azide functionality, wherein said terminal functional group is complementary to the terminal functional group X of formula (I) providing triazole moieties from reaction of X and A.

  一种药物-聚合物共轭物，其中是至少一个式(I)的单体的共聚物，其中：X在每次出现时可以相同也可以不同，表示包含炔烃或叠氮基团的末端官能团；Q在每次出现时独立选择，可以存在也可以不存在，当存在时，表示一个连接基团；R从由线性或支链烃烃基、可选择地取代的芳基和可选择地取代的杂环芳基组成的群体中选择；D是可释放的双环前列腺素；L是连接基团；以及至少一个式III J-(Y1-A)n的共单体，其中J表示连接官能团，n为2至8，最好为3至8；Y1包括一个式(ORa)m的聚醚，其中Ra独立地为乙烯、丙烯和丁烯，m为1至300（最好为2至300），聚醚与一个或多个基团链相连，这些基团最好选择自一个或多个可选择地取代的直链或支链C1至C10烷基、氨基、醚基、酯基、酰胺基、碳酸酯基和碳酸酯基；A在每次出现时可以相同也可以不同，表示包含一个末端官能团，该官能团包括一个包含炔烃或叠氮官能团的基团，其中所述末端官能团与式(I)的X的末端官能团互补，从X和A的反应中提供三唑基团。
• [EN] SALTS OF NICOTINIC ACID AND NICOTINAMIDE AS ANTI-AGING AGENTS<br/>[FR] SELS D'ACIDE NICOTINIQUE ET DE NICOTINAMIDE EN TANT QU'AGENTS ANTI-ÂGE
  申请人：JUMPSTART FERTILITY PTY LTD

  公开号：WO2020028684A1

  公开（公告）日：2020-02-06

  The present invention relates to amino acid salts of nicotinic acid and nicotinamide and compositions thereof of Formula I, useful in the treatment of disorders and diseases associated with deficiencies in NAD+: (I) wherein J, M1, R1, and k are as described herein.

  本发明涉及烟酸和烟酰胺的氨基酸盐及其组合物，其化学式为I，用于治疗与NAD+缺乏相关的疾病和紊乱：（I）其中J、M1、R1和k如本文所述。

表征谱图