[2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridyl]methan-1-ol | 545395-44-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridyl]methan-1-ol
• 英文别名: [2-morpholin-4-yl-6-(trifluoromethyl)pyridin-3-yl]methanol
• CAS: 545395-44-6
• 化学式: C₁₁H₁₃F₃N₂O₂
• 分子量: 262.232
• InChiKey: FIQVUXNOGNLPRJ-UHFFFAOYSA-N

物化性质

• 沸点：
  390.7±42.0 °C(Predicted)
• 密度：
  1.356±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  45.6
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  [2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridyl]methan-1-ol 在 草酰氯 、 二甲基亚砜 、 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以71%的产率得到2-morpholin-4-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
  参考文献：
  名称：

  Discovery of Potent, Orally Available Vanilloid Receptor-1 Antagonists. Structure−Activity Relationship of N-Aryl Cinnamides

  摘要：

  The vanilloid receptor-1 (TRPV1 or VR1) is a member of the transient receptor potential (TRP) family of ion channels and plays a role in regulating the function of sensory nerves. A growing body of evidence demonstrates the therapeutic potential of TRPV1 modulators: particularly in the management of pain. As a result of our screening efforts, we identified (E)-3-(4-tert-butylphenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide (1): an antagonist that blocks the capsaicin-induced and pH-induced uptake of Ca-45(2+) in TRPV1-expressing Chinese hamster ovary cells with IC50 values of 17 +/- 5 and 150 +/- 80 nM, respectively. In this report.. we describe the synthesis and structure-activity relationship of a series of N-aryl cinnamides, the most potent of which (49a and 49b) exhibit good oral bioavailability in rats (F-oral = 39% and 17%. respectively).

  DOI：

  10.1021/jm049485i
• 作为产物：
  描述：

  2-氯-6-三氟甲基烟酸 在 二异丁基氢化铝 、 potassium carbonate 、 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 甲苯 、 乙腈 为溶剂， 反应 49.5h， 生成 [2-morpholin-4-yl-6-(trifluoromethyl)-3-pyridyl]methan-1-ol
  参考文献：
  名称：

  NOVEL IMIDAZOLE COMPOUND AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONIST

  摘要：

  本发明涉及一种具有黑皮质素受体激动活性的新型咪唑化合物或其药用可接受盐，以及其医疗用途。本发明涉及由通式[I]表示的咪唑化合物 [其中：环A代表一个可选地取代的芳香族基团等；R1代表一个氢原子，一个可选地取代的烷基团等；R2代表一个氢原子，一个卤素原子等；R3代表一个可选地取代的烷基团]或其药用可接受盐。

  公开号：

  US20180258076A1

文献信息

• NOVEL IMIDAZOLE COMPOUND AND USE THEREOF AS MELANOCORTIN RECEPTOR AGONIST
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US20180258076A1

  公开（公告）日：2018-09-13

  The present invention relates to a novel imidazole compound or a pharmaceutically acceptable salt thereof having a melanocortin receptor agonistic activity, and medical use thereof. The present invention relates to an imidazole compound represented by general formula [I] [wherein: Ring A represents an optionally substituted aryl group or the like; R 1 represents a hydrogen atom, an optionally substituted alkyl group, or the like; R 2 represents a hydrogen atom, a halogen atom, or the like; and R 3 represents an optionally substituted alkyl group] or a pharmaceutically acceptable salt thereof.

  本发明涉及一种具有黑皮质素受体激动活性的新型咪唑化合物或其药用可接受盐，以及其医疗用途。本发明涉及由通式[I]表示的咪唑化合物 [其中：环A代表一个可选地取代的芳香族基团等；R1代表一个氢原子，一个可选地取代的烷基团等；R2代表一个氢原子，一个卤素原子等；R3代表一个可选地取代的烷基团]或其药用可接受盐。
• 医薬組成物
  申请人：田辺三菱製薬株式会社

  公开号：JP2018199673A

  公开（公告）日：2018-12-20

  【課題】 メラノコルチン受容体作動活性を有する新規イミダゾール化合物又はその薬理的に許容し得る塩を有効成分として含んでなる医薬組成物の提供。【解決手段】 一般式〔Ｉ〕〔式中、環Ａは置換されていてもよいアリール基等を表し；Ｒ１は水素原子、置換されていてもよいアルキル基等を表し；Ｒ２は水素原子、ハロゲン原子等を表し；Ｒ３は置換されていてもよいアルキル基を表す〕で示されるイミダゾール化合物、又はその薬理的に許容し得る塩を有効成分として含んでなる医薬組成物。【選択図】 なし

  【课题】提供含有作为有效成分的新的咪唑啉化合物或其药理上可接受的盐的药物组合物，该咪唑啉化合物或其药理上可接受的盐具有melanocortin受体作用活性。 【解决手段】包含以一般式〔Ｉ〕所示的咪唑啉化合物或其药理上可接受的盐作为有效成分的药物组合物；其中，环A可以表示被取代的烯丙基等；R1可以表示氢原子、被取代的烷基等；R2可以表示氢原子、卤素原子等；R3可以表示被取代的烷基。 【选择图】无
• Vanilloid receptor ligands and their use in treatments
  申请人：——

  公开号：US20030195201A1

  公开（公告）日：2003-10-16

  Compounds having the general structure 1 and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritis, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

  具有一般结构1的化合物以及含有它们的组合物，用于治疗急性疼痛、炎症性和神经性疼痛、牙痛、普通头痛、偏头痛、丛集性头痛、混合性血管和非血管综合症、紧张性头痛、一般炎症、关节炎、风湿病、骨关节炎、炎症性肠病、炎症性眼病、炎症性或不稳定的膀胱病、银屑病、具有炎症成分的皮肤疾病、慢性炎症状况、炎症性疼痛及其相关的过度疼痛和异常疼痛、神经性疼痛及其相关的过度疼痛和异常疼痛、糖尿病性神经病疼痛、灼痛、交感神经维持的疼痛、去神经综合症、哮喘、上皮组织损伤或功能障碍、单纯疱疹、在呼吸、生殖泌尿、胃肠或血管区域的内脏运动障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠病、胃溃疡、十二指肠溃疡、腹泻、由坏死性剂引起的胃部病变、毛发生长、血管运动性或过敏性鼻炎、支气管障碍或膀胱障碍。
• VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS
  申请人：Bo Yunxin Y.

  公开号：US20090264424A1

  公开（公告）日：2009-10-22

  Compounds having the general structure and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, burns, allergic skin reactions, pruritis, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

  具有一般结构和组成的化合物，用于治疗急性、炎症性和神经病性疼痛、牙痛、普通头痛、偏头痛、群集性头痛、混合型血管性和非血管性综合症、紧张性头痛、一般炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠病、炎症性眼疾、炎症性或不稳定的膀胱疾病、牛皮癣、具有炎症成分的皮肤疾病、慢性炎症状况、炎症性疼痛和相关的高敏感性和触痛、神经病性疼痛和相关的高敏感性和触痛、糖尿病性神经病疼痛、烧伤后神经病疼痛、交感神经维持的疼痛、去神经化综合症、哮喘、上皮组织损伤或功能障碍、单纯疱疹、呼吸、泌尿、胃肠或血管区域的内脏运动障碍、创伤、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠疾病、胃溃疡、十二指肠溃疡、腹泻、坏死性剂引起的胃病变、毛发生长、血管运动或过敏性鼻炎、支气管疾病或膀胱疾病。
• Cyclic amides as vanilloid receptor ligands and their use in treatments of inflammatory and neuropathic pain
  申请人：Amgen, Inc

  公开号：EP1764358A2

  公开（公告）日：2007-03-21

  Compounds having the general structure and compositions containing them, for the treatment of acute, inflammatory and neuropathic pain, dental pain, general headache, migraine, cluster headache, mixed-vascular and non-vascular syndromes, tension headache, general inflammation, arthritis, rheumatic diseases, osteoarthritis, inflammatory bowel disorders, inflammatory eye disorders, inflammatory or unstable bladder disorders, psoriasis, skin complaints with inflammatory components, chronic inflammatory conditions, inflammatory pain and associated hyperalgesia and allodynia, neuropathic pain and associated hyperalgesia and allodynia, diabetic neuropathy pain, causalgia, sympathetically maintained pain, deafferentation syndromes, asthma, epithelial tissue damage or dysfunction, herpes simplex, disturbances of visceral motility at respiratory, genitourinary, gastrointestinal or vascular regions, wounds, bums, allergic skin reactions, pruritis, vitiligo, general gastrointestinal disorders, gastric ulceration, duodenal ulcers, diarrhea, gastric lesions induced by necrotising agents, hair growth, vasomotor or allergic rhinitis, bronchial disorders or bladder disorders.

  具有以下一般结构的化合物 以及含有这些化合物的组合物，用于治疗急性、炎症性和神经性疼痛、牙 痛、一般头痛、偏头痛、丛集性头痛、混合血管性和非血管性综合征、紧张 性头痛、一般炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠道疾病、炎症性眼部疾病、炎症性或不稳定型膀胱疾病、牛皮癣、伴有炎症成分的皮肤不适、慢性炎症、炎症性疼痛及相关的痛觉减退和痛觉过敏、神经性疼痛及相关的痛觉减退和痛觉过敏、糖尿病神经病变性疼痛、因痛症、交感神经维持性疼痛、失代偿综合征、哮喘、上皮组织损伤或功能障碍、单纯疱疹、呼吸道、泌尿生殖道、胃肠道或血管部位的内脏运动障碍、伤口、溃疡、皮肤过敏反应、瘙痒症、白癜风、一般胃肠道疾病、胃溃疡、十二指肠溃疡、腹泻、坏死剂引起的胃部病变、毛发生长、血管运动性或过敏性鼻炎、支气管疾病或膀胱疾病。