(1S,2R,4R)-4-tert-butoxycarbonylamino-2-methylcyclohexylamine | 420794-44-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1S,2R,4R)-4-tert-butoxycarbonylamino-2-methylcyclohexylamine
• 英文别名: tert-butyl N-[(1R,3R,4S)-4-amino-3-methylcyclohexyl]carbamate
• CAS: 420794-44-1
• 化学式: C₁₂H₂₄N₂O₂
• 分子量: 228.335
• InChiKey: VOIBYCGLVIZHCF-BBBLOLIVSA-N

物化性质

• 沸点：
  330.7±31.0 °C(Predicted)
• 密度：
  1.01±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  (1S,2R,4R)-4-tert-butoxycarbonylamino-2-methylcyclohexylamine 在 BOP 、 sodium cyanoborohydride 、 caesium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 、 水 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 反应 96.17h， 生成 (S)-3-Benzyloxycarbonylamino-1-((1S,2R,4R)-4-(isopropyl(methyl)amino)-2-methylcyclohexyl)pyrrolidin-2-one
  参考文献：
  名称：

  Discovery of a Potent and Orally Bioavailable Dual Antagonist of CC Chemokine Receptors 2 and 5

  摘要：

  We describe the hybridization of our previously reported acyclic and cyclic CC chemokine receptor 2 (CCR2) antagonists to lead to a new series of dual antagonists of CCR2 and CCRS. Installation of a gamma-lactam as the spacer group and a quinazoline as a benzamide mimetic improved oral bioavailability markedly. These efforts led to the identification of 13d, a potent and orally bioavailable dual antagonist suitable for use in both murine and monkey models of inflammation.

  DOI：

  10.1021/ml500505q
• 作为产物：
  描述：

  (1R,2S,4S)-4-tert-butoxycarbonylamino-2-methyl-N-phthaloylcyclohexylamine 在 肼 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 (1S,2R,4R)-4-tert-butoxycarbonylamino-2-methylcyclohexylamine
  参考文献：
  名称：

  EP1371376

  摘要：

  公开号：

文献信息

• Antipruritics
  申请人：——

  公开号：US20040116450A1

  公开（公告）日：2004-06-17

  The present invention relates to an antipruritic agent comprising a nociceptin antagonist as an active ingredient. The nociceptin antagonist can be used as a preventive or remedy for diseases associated with itching (for example, atopic dermatitis and urticaria), local pruritus cutaneous caused by insect excretion and secretion, nodular prurigo, kidney dialysis, diabetes, blood disease, liver disease, kidney disease, incretion and metabolic disorder, viscera malignant tumor, hyperthyroidism, autoimmune disease, multiple sclerosis, neurologic disease, psychoneurosis, allergic conjunctivitis, spring catarrh, atopic keratoconjunctivitis, or itching caused by excess use of laxuries and drugs because it has excellent scrtaching behavior suppressing effect, that is, antiitching effect and antipruritic effect.

  本发明涉及一种抗瘙痒剂，其包含一种镇痛肽拮抗剂作为活性成分。该镇痛肽拮抗剂可用作与瘙痒有关的疾病的预防或治疗（例如，特应性皮炎和荨麻疹），由昆虫排泄物和分泌物引起的局部皮肤瘙痒，结节性瘙痒，肾透析，糖尿病，血液疾病，肝脏疾病，肾脏疾病，内分泌和代谢紊乱，内脏恶性肿瘤，甲状腺功能亢进，自身免疫疾病，多发性硬化症，神经系统疾病，精神神经症，过度使用泻药和药物引起的瘙痒，因为它具有出色的抓痒行为抑制作用，即抗瘙痒作用和抗瘙痒作用。
• ANTIPRURITICS
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：EP1371376A1

  公开（公告）日：2003-12-17

  The present invention relates to an antipruritic agent comprising a nociceptin antagonist as an active ingredient. The nociceptin antagonist can be used as a preventive or remedy for diseases associated with itching (for example, atopic dermatitis and urticaria), local pruritus cutaneous caused by insect excretion and secretion, nodular prurigo, kidney dialysis, diabetes, blood disease, liver disease, kidney disease, incretion and metabolic disorder, viscera malignant tumor, hyperthyroidism, autoimmune disease, multiple sclerosis, neurologic disease, psychoneurosis, allergic conjunctivitis, spring catarrh, atopic keratoconjunctivitis, or itching caused by excess use of laxuries and drugs because it has excellent scrtaching behavior suppressing effect, that is, antiitching effect and antipruritic effect.

  本发明涉及一种止痒剂，其活性成分包括一种神经痛素拮抗剂。痛觉素拮抗剂可用于预防或治疗与瘙痒有关的疾病（例如特应性皮炎和荨麻疹）、昆虫排泄和分泌物引起的局部皮肤瘙痒症、结节性瘙痒症、肾透析、糖尿病、血液病、肝病、肾病、增生和代谢紊乱、内脏恶性肿瘤、甲状腺机能亢进症、自身免疫性疾病、多发性硬化症、神经系统疾病、精神神经症、过敏性结膜炎、春季白内障、特应性角结膜炎，或过量使用泻药和药物引起的瘙痒，因为它具有出色的抑制瘙痒行为的效果，即止痒效果和止痒效果。
• Quinazoline derivatives and drugs
  申请人：——

  公开号：US20040034044A1

  公开（公告）日：2004-02-19

  The invention provides an excellent novel analgesic which acts on a nociceptin receptor to exhibit a wide range of the analgesic effect for example on a chronic pain as well as an allodynia accompanied with a herpes zoster. The invention relates to a nociceptin receptor agonist comprising as an active ingredient a compound represented by Formula (I) or a salt thereof: 1 wherein R 1 represents a hydrogen atom or alkyl; A 1 and A 2 are the same or different and each represents a single bond or a divalent aliphatic hydrocarbon group; Q represents a single bond, cycloalkylene group, phenylene group or a divalent heterocyclic group; R 2A and R 2B are the same or different and each represents a hydrogen atom or alkyl; R 3 represents an optionally substituted phenyl group or heterocyclic group; R 4 and R 5 are the same or different and each represents a hydrogen atom, alkyl, alkoxy, aralkyloxy, halogen, nitro, hydroxy, alkoxycarbonyl, —NR 6 R 7 and the like.

  本发明提供了一种极好的新型镇痛剂，它作用于痛觉素受体，显示出广泛的镇痛效果，例如对慢性疼痛以及伴有带状疱疹的异动症。 本发明涉及一种痛觉素受体激动剂，其活性成分包括由式（I）代表的化合物或其盐： 1 其中 R 1 代表氢原子或烷基； A 1 和 A 2 相同或不同，各自代表单键或二价脂肪族烃基； Q 代表单键、环烷基、亚苯基或二价杂环基； R 2A 和 R 2B 相同或不同，各自代表氢原子或烷基；R 3 代表任选取代的苯基或杂环基团； R 4 和 R 5 相同或不同，各自代表氢原子、烷基、烷氧基、烷氧基、卤素、硝基、羟基、烷氧羰基、-NR 6 R 7 等。
• QUINAZOLINE DERIVATIVES AND DRUGS
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：EP1340748B1

  公开（公告）日：2008-01-16
• EP1371376
  申请人：——

  公开号：——

  公开（公告）日：——