3-nitro-phthalamic acid ; ammonium compound

• 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: 3-nitro-phthalamic acid ; ammonium compound
• 英文别名: 3-Nitro-phthalamidsaeure; Ammonium-Verbindung；2-(aminocarbonyl)-3-nitrobenzoic acid ammonium salt；2-carbamoyl-3-nitrobenzoic acid ammonium；Azanium;2-carbamoyl-3-nitrobenzoate
• 化学式: C₈H₆N₂O₅*H₃N
• 分子量: 227.177
• InChiKey: FOKMDGVMDWFHMK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.57
• 重原子数：
  16
• 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：
  130
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  3-nitro-phthalamic acid ; ammonium compound 在 氯化亚砜 、 溴 、 potassium hydroxide 作用下， 生成 2-氨基-3-硝基苯甲酰胺
  参考文献：
  名称：

  [EN] LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF
  [FR] DÉRIVÉS D'ACIDE LIPOÏQUE ET DE NITROXIDE ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2011141909A3
• 作为产物：
  描述：

  3-硝基邻苯二甲酸酐 在 ammonium hydroxide 作用下， 生成 3-nitro-phthalamic acid ; ammonium compound
  参考文献：
  名称：

  [EN] LIPOIC ACID AND NITROXIDE DERIVATIVES AND USES THEREOF
  [FR] DÉRIVÉS D'ACIDE LIPOÏQUE ET DE NITROXIDE ET LEURS UTILISATIONS

  摘要：

  公开号：

  WO2011141909A3

文献信息

• Substituted benzimidazoles
  申请人：Aventis Pharma Deutschland GmbH

  公开号：US06358978B1

  公开（公告）日：2002-03-19

  Compounds of formula I are suitable for the production of pharmaceuticals for the prophylaxis and therapy of disorders in whose course an increased activity of NF&kgr;B is involved.

  式I的化合物适用于生产用于预防和治疗在其过程中NF&kgr;B活性增加的疾病的药物。
• Pyridazine Compounds as Glycogen Synthase Kinase 3 Inhibitors
  申请人：Turner Sean C.

  公开号：US20090325937A1

  公开（公告）日：2009-12-31

  Disclosed are pyridazine compounds of the formula I which are useful for inhibiting glycogen synthase kinase 3 (GSK-3), methods of making the compounds, compositions containing the compounds, and methods of treatment using the compounds: In formula I indicates a single bond or a double bond; X is O, S or N—R 5 ; R 1 , R 2 are independently selected from the group consisting of H, NH 2 , NH—C 1 -C 6 -alkyl, OH, ═O, (i.e. a carbonyl group), C 1 -C 6 -alkoxy, halogen, methyl, C 2 -C 4 -alkyl, C 3 -C 4 -cycloalkyl, C 3 -C 4 -alkenyl, fluorinated C 1 -C 4 -alkyl, fluorinated C 3 -C 4 -cycloalkyl, fluorinated C 3 -C 4 -alkenyl, formyl, C 1 -C 3 -alkylcarbonyl, and an aromatic radical Ar, R 1 and R 2 together with the carbon atoms, to which they are attached, form a fused, saturated or unsaturated 5-, 6- or 7-membered C-bound carbocyclic or heterocyclic ring comprising 1 heteroatom, selected from nitrogen, oxygen and sulfur as ring member and 0, 1 or 2 further heteroatoms, independently selected from O, S and N, as ring members, wherein the fused ring is unsubstituted or may carry 1, 2 or 3 substituents selected, independently of each other, from the group of radicals R 4 as defined below; R 3 is hydrogen OH, halogen, CN, nitro, C 1 -C 6 -alkyl, fluorinated C 1 -C 6 -alkyl, C 1 -C 6 -hydroxyalkyl, C 1 -C 6 -alkoxy-C 1 -C 6 -alkyl, C 2 -C 6 -alkenyl, fluorinated C 2 -C 6 -alkenyl, C 2 -C 6 -alkynyl, C 3 -C 7 -cycloalkyl, fluorinated C 3 -C 7 -cycloalkyl, C 1 -C 6 -alkoxy, C 1 -C 6 -hydroxyalkoxy, C 1 -C 6 -alkoxy-C 1 -C 6 -alkoxy, fluorinated C 1 -C 6 -alkoxy, C 1 -C 6 -alkylthio, fluorinated C 1 -C 6 -alkylthio, C 1 -C 6 -alkylsulfinyl, fluorinated C 1 -C 6 -alkylsulfinyl, C 1 -C 6 -alkylsulfonyl, fluorinated C 1 -C 6 -alkylsulfonyl, C 1 -C 6 -alkylcarbonyl, fluorinated C 1 -C 6 -alkylcarbonyl, C 1 -C 6 -alkylcarbonylamino, fluorinated C 1 -C 6 -alkylcarbonylamino, carboxy, C 1 -C 6 -alkyloxycarbonyl, fluorinated C 1 -C 6 -alkoxycarbonyl, NR a R b , C(O)—NR e R f , NH—C(O)—NR e R f , NR a R b —C 1 -C 6 -alkylene, O—NR a R b , etc. and wherein R 4 and R 5 are as defined in the specification and the claims.

  本发明涉及一种公式I的吡嗪化合物，其用于抑制糖原合成酶激酶3（GSK-3），制备该化合物的方法，包含该化合物的组合物以及使用该化合物的治疗方法： 在公式I中， 表示单键或双键； X是O，S或N—R5； R1，R2独立选择自H，NH2，NH—C1-C6-烷基，OH，═O（即羰基），C1-C6-烷氧基，卤素，甲基，C2-C4-烷基，C3-C4-环烷基，C3-C4-烯基，氟代C1-C4-烷基，氟代C3-C4-环烷基，氟代C3-C4-烯基，甲酰基，C1-C3-烷基羰基和芳基基团，R1和R2与它们附着的碳原子一起形成一个融合的、饱和或不饱和的5、6或7元素C-键环或杂环，其中该融合环未被取代或可带有1、2或3个取代基，其独立选择自下面定义的R4基团； R3是氢、羟基、卤素、氰基、硝基、C1-C6-烷基、氟代C1-C6-烷基、C1-C6-羟基烷基、C1-C6-烷氧基-C1-C6-烷基、C2-C6-烯基、氟代C2-C6-烯基、C2-C6-炔基、C3-C7-环烷基、氟代C3-C7-环烷基、C1-C6-烷氧基、C1-C6-羟基烷氧基、C1-C6-烷氧基-C1-C6-烷氧基、氟代C1-C6-烷氧基、C1-C6-烷基硫基、氟代C1-C6-烷基硫基、C1-C6-烷基亚砜基、氟代C1-C6-烷基亚砜基、C1-C6-烷基磺酰基、氟代C1-C6-烷基磺酰基、C1-C6-烷基羰基、氟代C1-C6-烷基羰基、C1-C6-烷基羰基氨基、氟代C1-C6-烷基羰基氨基、羧基、C1-C6-烷氧羰基、氟代C1-C6-烷氧羰基、NRaRb、C（O）—NReRf、NH—C（O）—NReRf、NRaRb—C1-C6-亚基、O—NRaRb等； 其中R4和R5如规范和要求所定义。
• Chapman; Stephen, Journal of the Chemical Society, 1925, vol. 127, p. 1794
  作者：Chapman、Stephen

  DOI：——

  日期：——
• Process Development for ABT-472, a Benzimidazole PARP Inhibitor
  作者：Jufang H. Barkalow、Jeffrey Breting、Bruce J. Gaede、Anthony R. Haight、Rodger Henry、Brian Kotecki、Jianzhang Mei、Kurt B. Pearl、Jason S. Tedrow、Shekhar K. Viswanath

  DOI：10.1021/op7000194

  日期：2007.7.1

  A nine-step convergent process was developed for the synthesis of ABT-472, a benzimidazole PARP inhibitor. The identity and origin of several impurities were determined, and the process was modified to reduce or eliminate these impurities. A number of safety and control issues were investigated. The original synthesis was shortened to 9 steps and streamlined while maintaining a convergent strategy. A stable salt was selected, and control of the API solid form was established. The process was successfully scaled up to provide 8.5 kg of final product of > 99% purity in 33% yield over 9 steps.
• WO2007/6566
  申请人：——

  公开号：——

  公开（公告）日：——