7-(3,5-difluoropyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine | 861100-90-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶并嘧啶类
• 英文名称: 7-(3,5-difluoropyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
• 英文别名: 7-(3,5-difluoropyridin-2-yl)-N-[4-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
• CAS: 861100-90-5
• 化学式: C₁₉H₁₄F₅N₅
• 分子量: 407.346
• InChiKey: UUQLORYIEXUQRP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  53.9
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  N-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine 、 2,3,5-三氟吡啶 在 乙二醇甲醚 作用下， 反应 0.75h， 生成 7-(3,5-difluoropyridin-2-yl)-N-(4-(trifluoromethyl)phenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
  参考文献：
  名称：

  Vanilloid receptor ligands and their use in treatments

  摘要：

  具有一般结构的化合物及其组合物，用于治疗急性、炎症性和神经性疼痛、牙痛、普通头痛、偏头痛、集群头痛、混合血管和非血管综合征、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、炎症性或不稳定膀胱疾病、牛皮癣、伴有炎症成分的皮肤疾病、慢性炎症症状、炎症性疼痛及相关的过敏性疼痛和触痛、神经性疼痛及相关的过敏性疼痛和触痛、糖尿病性神经病痛、烧伤性神经痛、交感神经维持性疼痛、感觉缺失综合征、哮喘、上皮组织损伤或功能障碍、单纯疱疹、呼吸、泌尿、消化或血管区域内脏运动障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠道疾病、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、血管运动性或过敏性鼻炎、支气管疾病或膀胱疾病。

  公开号：

  US20050165032A1

文献信息

• Fluorinated oxaanthracenes and their use in liquid-crystal mixtures
  申请人：——

  公开号：US20040245498A1

  公开（公告）日：2004-12-09

  Compounds of the formula (I) 1 where: X 1 is H or F G 1 -G 2 is —CH 2 —CH— or CH═C— R 1 , R 2 are a) H b) the M 2 -A 2 -R 5 moiety c) for example, a straight-chain or branched alkyl radical having from 1 to 16 carbon atoms R 3 and R 4 are each, for example, H, the M 2 -A 2 -R 5 moiety or a straight-chain or branched alkyl or alkyloxy radical having from 1 to 16 carbon atoms A 2 is, for example, 1,4-phenylene, with the provisos that a) when R 2 is not H, R 1 and R 3 have to be H, b) when R 2 is H, R 4 must not have the definitions c) or d), c) R 1 , R 2 , R 3 and R 4 must not at the same time be H.

  化合物的分子式为(I)1，其中：X1为H或FG1-G2为—CH2—CH—或CH═C—R1，R2为a) Hb) M2-A2-R5基团c) 例如，具有1至16个碳原子的直链或支链烷基基团R3和R4为例如H，M2-A2-R5基团或具有1至16个碳原子的直链或支链烷基或烷氧基基团A2为例如1,4-苯撑基，但需满足以下条件：a) 当R2不为H时，R1和R3必须为H，b) 当R2为H时，R4不能具有定义c）或d），c）R1，R2，R3和R4不能同时为H。
• VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS
  申请人：AMGEN INC.

  公开号：EP1713807A1

  公开（公告）日：2006-10-25
• US6887533B2
  申请人：——

  公开号：US6887533B2

  公开（公告）日：2005-05-03
• [EN] VANILLOID RECEPTOR LIGANDS AND THEIR USE IN TREATMENTS<br/>[FR] LIGANDS DE RECEPTEUR VANILLOIDE ET LEUR UTILISATION DANS LE CADRE DE TRAITEMENTS
  申请人：AMGEN INC

  公开号：WO2005070929A1

  公开（公告）日：2005-08-04

  Compounds having the general structure formula (I) 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, pruritus, 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.
• Vanilloid receptor ligands and their use in treatments
  申请人：Norman H. Mark

  公开号：US20050165032A1

  公开（公告）日：2005-07-28

  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, pruritus, 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.

  具有一般结构的化合物及其组合物，用于治疗急性、炎症性和神经性疼痛、牙痛、普通头痛、偏头痛、集群头痛、混合血管和非血管综合征、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、炎症性或不稳定膀胱疾病、牛皮癣、伴有炎症成分的皮肤疾病、慢性炎症症状、炎症性疼痛及相关的过敏性疼痛和触痛、神经性疼痛及相关的过敏性疼痛和触痛、糖尿病性神经病痛、烧伤性神经痛、交感神经维持性疼痛、感觉缺失综合征、哮喘、上皮组织损伤或功能障碍、单纯疱疹、呼吸、泌尿、消化或血管区域内脏运动障碍、伤口、烧伤、过敏性皮肤反应、瘙痒、白癜风、一般胃肠道疾病、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、血管运动性或过敏性鼻炎、支气管疾病或膀胱疾病。