6-羟基烟酰胺 | 3670-59-5

• 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: 6-羟基烟酰胺
• 中文别名: 6-羟基吡啶-3-甲酰胺；6-羟基烟酸胺
• 英文名称: 6-hydroxynicotinamide
• 英文别名: 2-hydroxypyridine-5-carboxamide；6-hydroxy-nicotinic acid amide；6-Hydroxy-nicotinsaeure-amid；6Hydroxynicotinamide；6-OH-nicotinamide；2-Hydroxypyridin-5-carboxamid；6-oxo-1H-pyridine-3-carboxamide
• CAS: 3670-59-5
• 化学式: C₆H₆N₂O₂
• mdl: MFCD08861510
• 分子量: 138.126
• InChiKey: NGPNYDVHEUXWIA-UHFFFAOYSA-N

物化性质

• 熔点：
  313.0-314.4 °C
• 沸点：
  466.3±45.0 °C(Predicted)
• 密度：
  1.354±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  72.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P305+P351+P338
• 危险性描述：
  H302,H319
• 储存条件：
  存放在室温环境下，应保持干燥并密封保存。

反应信息

• 作为反应物：
  描述：

  6-羟基烟酰胺 在 ammonium hydroxide 、 五氯化磷 、 三氯氧磷 作用下， 生成 6-氨基烟酰胺
  参考文献：
  名称：

  结核的实验性化学疗法；取代的烟酰胺。

  摘要：

  DOI：

  10.1021/jo01164a008
• 作为产物：
  描述：

  6-O-acetylnicotinamide 在 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 6-羟基烟酰胺
  参考文献：
  名称：

  Pharmaceutical applications of hydrotropic agents, polymers thereof, and hydrogels thereof

  摘要：

  本发明涉及一种有效增加水溶性的难溶性药物的化合物。识别了亲水性剂，例如用于增加紫杉醇的溶解度。制备了亲水性剂的可聚合单体，并生成了由这些单体形成的亲水性聚合物。这些单体和最终产生的聚合物都可以增加难溶性药物的溶解度。在某些情况下，亲水性聚合物在低浓度下相对于相应量的亲水性剂前体更有效地增加溶解度。此外，亲水性聚合物（hytrops）可以交联以产生能够溶解药物的亲水性水凝胶（hytrogels）。这些hytrogels还可以用于生成难溶性药物的微米和纳米颗粒悬浮液。使用本发明的化合物，可以将紫杉醇的水溶性提高四个数量级。大分子量化合物，例如hytrops和hytrogels，预计在胃肠道中吸收水平较低，因此特别适用于口服难溶性药物的给药。

  公开号：

  US20030031715A1

文献信息

• [EN] NEW COMPOUNDS AND METHODS<br/>[FR] NOUVEAUX COMPOSÉS ET PROCÉDÉS
  申请人：BENEVOLENTAI BIO LTD

  公开号：WO2021048567A1

  公开（公告）日：2021-03-18

  The present invention relates to compounds of Formula (I) or a pharmaceutically acceptable salt, solvate, hydrate, tautomer, optical isomer, N-oxide, and/or prodrug thereof. The present invention also relates to pharmaceutical compositions comprising the compounds of the invention, and to their use in the treatment or prevention of medical conditions in which inhibition of c-Abl is beneficial. (I)

  本发明涉及式(I)的化合物或其药用可接受的盐、溶剂化合物、水合物、互变异构体、光学异构体、N-氧化物和/或前药。本发明还涉及包括本发明化合物的药物组合物，以及它们在治疗或预防抑制c-Abl有益的医疗状况中的使用。
• [EN] THERAPEUTIC INHIBITORY COMPOUNDS<br/>[FR] COMPOSÉS INHIBITEURS THÉRAPEUTIQUES
  申请人：LIFESCI PHARMACEUTICALS INC

  公开号：WO2015103317A1

  公开（公告）日：2015-07-09

  The invention provides compounds of Formula I and Formula II: A-B-C-D-E-F-G-J (I) C-D-E-F-G-J (II) wherein A, B, C, D, E, F, G, and J have any of the values defined in the specification, and salts thereof. The compounds are useful for inhibiting plasma kallikrein, and for treating a disease or condition in an animal where inhibition of plasma kallikrein is indicated.

  该发明提供了Formula I和Formula II的化合物：A-B-C-D-E-F-G-J (I)和C-D-E-F-G-J (II)，其中A、B、C、D、E、F、G和J具有规范中定义的任何值，以及它们的盐。这些化合物对抑制血浆激肽酶和治疗动物中需要抑制血浆激肽酶的疾病或症状是有用的。
• ENZYME DETECTION/ASSAY METHOD AND SUBSTRATES
  申请人：——

  公开号：US20010019823A1

  公开（公告）日：2001-09-06

  The invention relates to a method of detecting and/or assaying nucleoside hydrolases or nucleoside phosphorylases using a chromogenic substrate. Preferred chromogenic substrates have formula (I) where X is OH, or H, and Y is the residue of Y—OH where Y—OH is a chromophore or a compound readily converted to a chromophore and the substrates are hydrolysed by the nucleoside hydrolase to yield ribose or 2-deoxyribose plus Y—OH. Alternatively those substrates may be phosphorylysed by nucleoside phosphorylase to yield ribose-1-phosphate plus Y—OH. The methods may be used to detect and/or assay parasites in biological samples.

  该发明涉及一种使用显色底物检测和/或测定核苷水解酶或核苷酸磷酸酶的方法。首选的显色底物具有式(I)，其中X为OH或H，Y为Y—OH的残基，其中Y—OH为色团或易于转化为色团的化合物，这些底物通过核苷水解酶水解产生核糖或2-脱氧核糖以及Y—OH。或者这些底物可能被核苷酸磷酸酶磷酸化产生核糖-1-磷酸加Y—OH。这些方法可用于检测和/或测定生物样本中的寄生虫。
• Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib
  申请人：——

  公开号：US20040019053A1

  公开（公告）日：2004-01-29

  This invention provides a combination, comprising an allosteric carboxylic inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with celecoxib, or a pharmaceutically acceptable salt thereof, or valdecoxib, or a pharmaceutically acceptable salt thereof. This invention also provides a method of treating a disease that is responsive to inhibition of MMP-13 and cyclooxygenase-2, comprising administering to a patient suffering from such a disease the invention combination comprising an allosteric carboxylic inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with celecoxib, or a pharmaceutically acceptable salt thereof, or valdecoxib, or a pharmaceutically acceptable salt thereof. This invention also provides a pharmaceutical composition, comprising the invention combination comprising an allosteric carboxylic inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with celecoxib, or a pharmaceutically acceptable salt thereof, or valdecoxib, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, diluent, or excipient. The invention combination may also be further combined with other pharmaceutical agents depending on the disease being treated.

  该发明提供了一种组合物，包括MMP-13的变构羧酸抑制剂或其药用盐，与Celecoxib或其药用盐，或Valdecoxib或其药用盐。该发明还提供了一种治疗对MMP-13和环氧合酶-2抑制敏感的疾病的方法，包括向患有这种疾病的患者施用包括MMP-13的变构羧酸抑制剂或其药用盐，与Celecoxib或其药用盐，或Valdecoxib或其药用盐的组合物。该发明还提供了一种药物组合物，包括包括MMP-13的变构羧酸抑制剂或其药用盐，与Celecoxib或其药用盐，或Valdecoxib或其药用盐的组合物，以及药用载体、稀释剂或赋形剂。该发明组合物还可以根据所治疗的疾病进一步与其他药物代理结合。
• Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with a selective inhibitor of cyclooxygenase-2 that is not celecoxib or valdecoxib
  申请人：——

  公开号：US20040019054A1

  公开（公告）日：2004-01-29

  This invention provides a combination, comprising an allosteric carboxylic inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with a selective inhibitor of COX-2, or a pharmaceutically acceptable salt thereof, that is not celecoxib or valdecoxib. This invention also provides a method of treating a disease that is responsive to inhibition of MMP-13 and cyclooxygenase-2, comprising administering to a patient suffering from such a disease the invention combination comprising an allosteric carboxylic inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with a selective inhibitor of COX-2, or a pharmaceutically acceptable salt thereof, that is not celecoxib or valdecoxib. This invention also provides a pharmaceutical composition, comprising the invention combination comprising an allosteric carboxylic inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with a selective inhibitor of COX-2, or a pharmaceutically acceptable salt thereof, that is not celecoxib or valdecoxib, and a pharmaceutically acceptable carrier, diluent, or excipient. This invention also provides a combination comprising an NSAID, or a pharmaceutically acceptable salt thereof, and an allosteric carboxylic inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof. This invention also provides a pharmaceutical composition, comprising the invention combination comprising an allosteric carboxylic inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with an NSAID, or a pharmaceutically acceptable salt thereof, and a pharmaceutically acceptable carrier, diluent, or excipient. This invention also provides a method of treating a disease that is responsive to inhibition of MMP-13 and cyclooxygenase-1 or cyclooxygenase-2, comprising administering to a patient suffering from such a disease the invention combination comprising an allosteric carboxylic inhibitor of MMP-13, or a pharmaceutically acceptable salt thereof, with an NSAID, or a pharmaceutically acceptable salt thereof. The invention combinations may also be further combined with other pharmaceutical agents depending on the disease being treated.

  本发明提供一种组合物，包括MMP-13的变构羧酸抑制剂或其药用盐，以及COX-2的选择性抑制剂或其药用盐，但不包括司来昔布或瓦来昔布。本发明还提供一种治疗对MMP-13和环氧合酶-2抑制响应的疾病的方法，包括向患有该疾病的患者施用包括MMP-13的变构羧酸抑制剂或其药用盐，以及COX-2的选择性抑制剂或其药用盐的本发明组合物，但不包括司来昔布或瓦来昔布。本发明还提供一种药物组合物，包括MMP-13的变构羧酸抑制剂或其药用盐，以及COX-2的选择性抑制剂或其药用盐的本发明组合物，但不包括司来昔布或瓦来昔布，以及药用载体、稀释剂或赋形剂。本发明还提供一种组合物，包括NSAID或其药用盐，以及MMP-13的变构羧酸抑制剂或其药用盐。本发明还提供一种药物组合物，包括MMP-13的变构羧酸抑制剂或其药用盐，以及NSAID或其药用盐的本发明组合物，以及药用载体、稀释剂或赋形剂。本发明还提供一种治疗对MMP-13和环氧合酶-1或环氧合酶-2抑制响应的疾病的方法，包括向患有该疾病的患者施用包括MMP-13的变构羧酸抑制剂或其药用盐，以及NSAID或其药用盐的本发明组合物。根据所治疾病的不同，本发明组合物也可以与其他药物组合。