2-amino-5-nitrobenzylamine hydrochloride | 863771-09-9

• 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: 2-amino-5-nitrobenzylamine hydrochloride
• 英文别名: 5-nitro-2-amino-benzylamine hydrochloride；2-(Aminomethyl)-4-nitroaniline hydrochloride；2-(aminomethyl)-4-nitroaniline;hydrochloride
• CAS: 863771-09-9
• 化学式: C₇H₉N₃O₂*ClH
• 分子量: 203.628
• InChiKey: PSEPJUDHODRVBE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.06
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  97.9
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

反应信息

• 作为反应物：
  描述：

  2-amino-5-nitrobenzylamine hydrochloride 在 盐酸 、 potassium hydrogencarbonate 、 三乙胺 作用下， 以 四氢呋喃 、 乙醇 、 二氯甲烷 、 水 为溶剂， 反应 81.0h， 生成 N-[4-nitro-2-[(1H-pyrrolo[2,3-b]pyridin-4-ylmethylcarbamothioylamino)methyl]phenyl]prop-2-enamide
  参考文献：
  名称：

  [EN] CHEMICAL COMPOUNDS
  [FR] COMPOSÉS CHIMIQUES

  摘要：

  本发明涉及取代的杂芳基衍生物。具体而言，本发明涉及根据公式Q的化合物：其中D、L、M、W、X、Y和Z在此定义。本发明的化合物是DNA甲基转移酶（DNMT）活性的抑制剂，包括DNMT1、DNMT3a或DNMT3b，并且可用于治疗癌症和过度增殖性疾病。因此，本发明进一步涉及包含本发明化合物的药物组合物。本发明还进一步涉及使用本发明的化合物或包含本发明化合物的药物组合物来抑制DNMT活性和治疗相关疾病的方法。

  公开号：

  WO2013062945A1
• 作为产物：
  描述：

  2-(氨基甲基)-4-硝基苯胺 在 盐酸 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 生成 2-amino-5-nitrobenzylamine hydrochloride
  参考文献：
  名称：

  WO2008/14822

  摘要：

  公开号：

文献信息

• Novel anti-inflammatory and analgesic heterocyclic amidines that inhibit nitrogen oxide (NO) production
  申请人：Makovec Francesco

  公开号：US20050197331A1

  公开（公告）日：2005-09-08

  Heterocyclic amidines with anti-inflammatory and analgesic activity that inhibit nitrogen oxide production, of formula (I): in which: G 1 and G 2 are hydrogen, halogen, hydroxyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl, and an amidino substituent of formula Q, provided that, for each compound of formula (I), only one of the two substituents G 1 or G 2 is an amidino substituent of formula Q: and in which the substituents W, Y and X are combined to form 9- or 10-membered bicyclic heteroaromatic derivatives containing up to 2 hetero atoms in the same ring; and Z is an aryl or heteroaryl group, a linear or branched C 1 -C 6 alkyl or alkenyl chain, a C 1 -C 4 alkyl-aryl group or a C 1 -C 4 alkyl-heteroaryl group.

  含有抗炎和镇痛活性、抑制氮氧化物产生的杂环胺基化合物，化学式（I）如下：其中：G1和G2为氢、卤素、羟基、C1-C4烷氧基、C1-C4烷基和式为Q的胺基取代基，但对于化合物的每个化学式（I），G1或G2中仅有一个是式为Q的胺基取代基；其中取代基W、Y和X结合形成含有最多2个杂原子的同一环中的9-或10-成员双环杂芳衍生物；Z为芳基或杂芳基团、线性或支链状的C1-C6烷基或烯基链、C1-C4烷基-芳基团或C1-C4烷基-杂芳基团。
• AMIDINE DERIVATIVES OF 2-HETEROARYL-QUINAZOLINES AND QUINOLINES; POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS
  申请人：Giordani Antonio

  公开号：US20090227609A1

  公开（公告）日：2009-09-10

  The present invention concerns novel amidines derivatives of 2-heteroaryl-quinazoline and quinolines of general formula (I), to a process for their preparation, to their pharmaceutical compositions and to the use of these compounds, salts and solvates thereof, along with the corresponding pharmaceutical compositions, for the treatment of pain and inflammatory disorders. Compounds of this invention are extremely potent analgesics, suitable for the treatment of both inflammatory and neuropathic pain. Particularly for the treatment of neuropathic pain the compounds of the invention have been proved largely superior to the standards currently in the clinical use. These compounds are not acting through inhibition of COX or NOS enzymes but are effective in inhibiting inflammatory cytokine production induced by inflammatory stimuli.

  本发明涉及2-杂环基喹唑啉和喹啉的新型酰胺衍生物，其通式为（I），以及它们的制备方法、制药组合物和这些化合物、盐和溶剂的用途，以及相应的制药组合物，用于治疗疼痛和炎症性疾病。本发明的化合物是极其有效的镇痛剂，适用于治疗炎症性和神经病理性疼痛。特别是对于神经病理性疼痛的治疗，本发明的化合物已被证明在临床使用中明显优于目前的标准。这些化合物不是通过抑制COX或NOS酶来发挥作用，而是通过抑制由炎症刺激引起的炎症细胞因子的产生而发挥作用。
• 6-1H-IMIDAZO-QUINAZOLINE AND QUINOLINES DERIVATIVES, NEW POTENT ANALGESICS AND ANTI-INFLAMMATORY AGENTS
  申请人：Giordani Antonio

  公开号：US20090264451A1

  公开（公告）日：2009-10-22

  The present invention is directed to novel 6-1H-imidazo-2-aryl and 2-heteroaryl quinazoline and quinoline of formula I, corresponding salts and solvates thereof, to a process for their preparation and to the use of this compounds and corresponding pharmaceutical composition for the treatment of pain and inflammatory related disorders. Compounds of the invention have been proven highly effective in the pharmacological treatment of both inflammatory and neuropathic pain, in addition to striking anti-inflammatory properties. Their effectiveness in interfering with COX-2 and inflammatory cytokines expressions and production, highlights them as interesting compounds also for the treatment of cancer in addition to several inflammatory diseases. Formula I:

  本发明涉及新的6-1H-咪唑-2-芳基和2-杂芳基喹噁啉和喹啉化合物（公式I），对应的盐和溶剂化物，以及它们的制备方法和该化合物及相应药物组合物在治疗疼痛和炎症相关疾病方面的应用。该发明的化合物在药理学治疗炎症和神经病性疼痛方面表现出高效性，除了具有显著的抗炎性特性外。它们干扰COX-2和炎症细胞因子表达和产生的有效性，使它们成为治疗癌症以及几种炎症性疾病的有趣化合物。公式I:
• Amidine derivatives of 2-heteroaryl-quinazolines and quinolines; potent analgesics and anti-inflammatory agents
  申请人：Rottapharm S.p.A.

  公开号：US07968558B2

  公开（公告）日：2011-06-28

  The present invention concerns novel amidines derivatives of 2-heteroaryl-quinazoline and quinolines of general formula (I), to a process for their preparation, to their pharmaceutical compositions and to the use of these compounds, salts and solvates thereof, along with the corresponding pharmaceutical compositions, for the treatment of pain and inflammatory disorders. Compounds of this invention are extremely potent analgesics, suitable for the treatment of both inflammatory and neuropathic pain. Particularly for the treatment of neuropathic pain the compounds of the invention have been proved largely superior to the standards currently in the clinical use. These compounds are not acting through inhibition of COX or NOS enzymes but are effective in inhibiting inflammatory cytokine production induced by inflammatory stimuli.

  本发明涉及一种2-杂环基喹唑啉和喹啉的新型酰胺衍生物，其通式为（I），以及它们的制备方法、制药组合物以及这些化合物、其盐和溶剂合物的用途，以及相应的制药组合物，用于治疗疼痛和炎症性疾病。本发明的化合物是极其有效的镇痛剂，适用于治疗炎症性和神经病理性疼痛。尤其是对于治疗神经病理性疼痛，本发明的化合物已被证明比目前在临床上使用的标准药物要优越得多。这些化合物并不是通过抑制COX或NOS酶来发挥作用，而是通过抑制炎症刺激引起的炎症细胞因子产生而发挥作用。
• Novel Anti-Inflammatory and Analgesic Heterocyclic Amidines that Inhibit Nitrogen Oxide (NO) Production
  申请人：MAKOVEC Francesco

  公开号：US20100120802A1

  公开（公告）日：2010-05-13

  Heterocyclic amidines with anti-inflammatory and analgesic activity that inhibit nitrogen oxide production, of formula (I): in which: G 1 and G 2 are hydrogen, halogen, hydroxyl, C 1 -C 4 alkoxy, C 1 -C 4 alkyl, and an amidino substituent of formula Q, provided that, for each compound of formula (I), only one of the two substituents G 1 or G 2 is an amidino substituent of formula Q: and in which the substituents W, Y and X are combined to form 9- or 10-membered bicyclic heteroaromatic derivatives containing up to 2 hetero atoms in the same ring; and Z is an aryl or heteroaryl group, a linear or branched C 1 -C 6 alkyl or alkenyl chain, a C 1 -C 4 alkyl-aryl group or a C 1 -C 4 alkyl-heteroaryl group.

  具有抗炎和镇痛活性，能够抑制氮氧化物产生的杂环胺基化合物，化学式为（I）：其中：G1和G2是氢，卤素，羟基，C1-C4烷氧基，C1-C4烷基和公式Q的氨基甲基取代基，只有公式（I）中的两个取代基G1或G2中的一个是公式Q的氨基甲基取代基；其中取代基W，Y和X组合形成含有最多2个杂原子的9-或10成员双环杂芳基衍生物；Z是芳基或杂芳基基团，线性或分支的C1-C6烷基或烯基链，C1-C4烷基芳基基团或C1-C4烷基杂芳基基团。