1'-cyano-3,4-dimethoxybenzylamine | 94782-89-5

• 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: 1'-cyano-3,4-dimethoxybenzylamine
• 英文别名: α-<3,4-Dimethoxy-phenyl>-aminoessigsaeure-nitril；α-(3,4-Dimethoxy-phenyl)-aminoessigsaeure-nitril；Amino(3,4-dimethoxyphenyl)acetonitrile；2-amino-2-(3,4-dimethoxyphenyl)acetonitrile
• CAS: 94782-89-5
• 化学式: C₁₀H₁₂N₂O₂
• 分子量: 192.217
• InChiKey: NEOXELVEQAQCRH-UHFFFAOYSA-N

物化性质

• 沸点：
  317.8±42.0 °C(Predicted)
• 密度：
  1.143±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  68.3
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1'-cyano-3,4-dimethoxybenzylamine 在 platinum(IV) oxide 氢气 作用下， 以 乙醚 为溶剂， 60.0 ℃ 、325.0 kPa 条件下， 反应 25.0h， 生成 N-[2-乙酰氨基-2-(3,4-二甲氧基苯基)乙基]乙酰胺
  参考文献：
  名称：

  McLaren, Ashley B.; Baker, Richmond J.; Wilson, J. Gerald, Australian Journal of Chemistry, 1987, vol. 40, # 3, p. 449 - 454

  摘要：

  DOI：
• 作为产物：
  描述：

  藜芦醛氰醇 在 氨 作用下， 以 甲醇 为溶剂， 反应 24.0h， 生成 1'-cyano-3,4-dimethoxybenzylamine
  参考文献：
  名称：

  McLaren, Ashley B.; Baker, Richmond J.; Wilson, J. Gerald, Australian Journal of Chemistry, 1987, vol. 40, # 3, p. 449 - 454

  摘要：

  DOI：

文献信息

• Development of a New α‐Aminonitrile Synthesis
  作者：Guo‐Hua Chu、Minghua Gu、Baudouin Gerard、Roland E. Dolle

  DOI：10.1081/scc-200043270

  日期：2004.1

  Abstract α‐Aminonitriles are prepared upon reaction of aryl carboxaldehydes with LiHMDS and acetone cyanohydrin. This new method provides a general route to the synthesis of various substituted α‐amino‐arylacetonitriles in high yield and purity, and avoids the use of the highly toxic cyanide salts.

  摘要 α-氨基腈是通过芳基甲醛与 LiHMDS 和丙酮氰醇反应制备的。这种新方法为以高收率和纯度合成各种取代的α-氨基-芳基乙腈提供了通用途径，并避免了使用剧毒氰化物盐。
• Nitrile derivatives that inhibit cathepsin K
  申请人：——

  公开号：US20010008901A1

  公开（公告）日：2001-07-19

  Compounds of the formula: 1 wherein R 1 to R 7 and Y are as defined in the specification, and pharmaceutically acceptable salts and/or pharmaceutically acceptable esters thereof, are useful for treating diseases associated with cystein proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis, atherosclerosis, myocardial infarction, angina pectoris, instable angina pectoris, stroke, plaque rupture, transient ischemic attacks, amaurosis fugax, peripheral arterial occlusive disease, restenosis after angioplasty and stent placement, abdominal aortic aneurysm formation, inflammation, autoimmune disease, malaria, ocular fundus tissue cytopathy and respiratory disease.

  该公式化合物：其中R1到R7和Y如规范中定义，并且其药用盐和/或药用酯是用于治疗与半胱氨酸蛋白酶相关的疾病，如骨质疏松症、骨关节炎、类风湿性关节炎、肿瘤转移、肾小球肾炎、动脉粥样硬化、心肌梗死、心绞痛、不稳定性心绞痛、中风、斑块破裂、短暂性缺血性发作、瞬间性视网膜动脉阻塞、外周动脉闭塞性疾病、血管成形术和支架植入术后再狭窄、腹主动脉瘤形成、炎症、自身免疫疾病、疟疾、眼底组织细胞病变和呼吸道疾病的有用化合物。
• Beta-amino acid nitrile derivatives as cathepsin K inhibitors
  申请人：——

  公开号：US20020016361A1

  公开（公告）日：2002-02-07

  The present invention relates to beta-amino acid nitrile derivatives and pharmaceutically acceptable salts and/or pharmaceutically acceptable esters thereof. The compounds are cysteine protease inhibitors useful for the treatment of diseases associated with cysteine proteases, such as osteoporosis, osteoarthritis, rheumatoid arthritis, tumor metastasis, glomerulonephritis, atherosclerosis, myocardial infarction, angina pectoris, instable angina pectoris, stroke, plaque rupture, transient ischemic attacks, amaurosis fugax, peripheral arterial occlusive disease, restenosis after angioplasty and stent placement, abdominal aortic aneurysm formation, inflammation, autoimmune disease, malaria, ocular fundus tissue cytopathy and respiratory disease.

  本发明涉及β-氨基酸腈衍生物及其药学上可接受的盐和/或药学上可接受的酯。这些化合物是半胱氨酸蛋白酶抑制剂，可用于治疗与半胱氨酸蛋白酶相关的疾病，如骨质疏松症、骨关节炎、类风湿关节炎、肿瘤转移、肾小球肾炎、动脉粥样硬化、心肌梗死、心绞痛、不稳定性心绞痛、中风、斑块破裂、短暂性缺血性发作、暂时性视网膜动脉阻塞、外周动脉闭塞症、血管成形术和支架植入术后再狭窄、腹主动脉瘤形成、炎症、自身免疫疾病、疟疾、眼底组织细胞病变和呼吸系统疾病。
• Gulland; Virden, Journal of the Chemical Society, 1929, p. 1798
  作者：Gulland、Virden

  DOI：——

  日期：——
• A Caged Hydrophobic Inhibitor of Carbonic Anhydrase II
  作者：Polina D. Kehayova、Gregory E. Bokinsky、John D. Huber、Ahamindra Jain

  DOI：10.1021/ol990526s

  日期：1999.7.1

  A tight binding, hydrophobic inhibitor of carbonic anhydrase II has been masked with a water-solubilizing, photolabile group derived from o-nitrophenylglycine. This caged inhibitor represents our first effort at the site specific delivery of prodrugs that can be activated by light. Via this approach, we have begun to address the problems of water insolubility and systemic side effects on administration of tight binding inhibitors of carbonic anhydrase.