7-amino-3-(hydroxymethyl)-1,3,4-trihydroquinolin-2-one | 545395-04-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 7-amino-3-(hydroxymethyl)-1,3,4-trihydroquinolin-2-one
• 英文别名: 7-amino-3-hydroxymethyl-3,4-dihydro-1H-quinolin-2-one；7-amino-3-hydroxymethyl-3,4-dihydro-2(1H)-quinolinon；7-amino-3-(hydroxymethyl)-3,4-dihydro-1H-quinolin-2-one
• CAS: 545395-04-8
• 化学式: C₁₀H₁₂N₂O₂
• 分子量: 192.217
• InChiKey: BHBNSEKVOWMFNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  75.4
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2,2-二甲基苯并二氢吡喃-6-羧酸 、 7-amino-3-(hydroxymethyl)-1,3,4-trihydroquinolin-2-one 生成 2,2-dimethyl-chroman-6-carboxylic acid (3-hydroxymethyl-2-oxo-1,2,3,4-tetrahydro-quinolin-7-yl)-amide
  参考文献：
  名称：

  Vanilloid receptor ligands and their use in treatments

  摘要：

  具有一般结构和组成的化合物及其含量，用于治疗急性、炎症性和神经痛、牙痛、普通头痛、偏头痛、集群头痛、混合血管和非血管综合征、紧张型头痛、一般炎症、关节炎、风湿性疾病、骨关节炎、炎症性肠病、炎症性眼病、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、慢性炎症病症、炎症性疼痛及相关的过敏症和痛觉过敏、神经性疼痛及相关的过敏症和痛觉过敏、糖尿病性神经病疼痛、烧伤后疼痛、交感神经维持性疼痛、去神经症候群、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、一般胃肠道疾病、胃溃疡、十二指肠溃疡、腹泻、坏死性剂诱导的胃病变、毛发生长、血管运动或过敏性鼻炎、支气管疾病或膀胱疾病。

  公开号：

  US07544803B2

文献信息

• HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE
  申请人：UCHIDA Hideharu

  公开号：US20100016285A1

  公开（公告）日：2010-01-21

  The blow-described formula (I) [Ch. 1] a compound represented by formula (I) (wherein k, m, n, and p each represent 0 to 2; j and q represents 0 or 1; R 1 represents a halogen atom, a hydrocarbon group, a heterocyclic group, an alkoxy group, an alkoxycarbonyl group, NH 2 , OH, a carboxyl group, an alkanoyl group, CN, NO 2 , or the like; R 2 represents a halogen atom, an amino group, a hydrocarbon group, an aromatic heterocyclic group, an oxo group, or the like; represents an oxygen atom, —NR 3 —, or —S(O)r- (wherein r is an integer of 0 to 2); X 2 represents a methylene group, an oxygen atom, —NR 3 — (wherein R 3 is a hydrogen atom, a hydrocarbon group, or the like), or S(O)r- (wherein r is an integer of 0 to 2); W represents a methylene group, a carbonyl group, or a sulfonyl group; R 7 represents a hydrogen atom, a hydrocarbon group, a heterocyclic group, or the like; R 8 represents a hydrogen atom, a halogen atom, a hydrocarbon group, a heterocyclic group, the broken line in the ring containing X 1 and X 2 represents a condensation of two rings; cycle moiety represents a five- or six-membered aryl ring or heteroaryl ring; and the solid line and the broken line between L 1 and L 2 are a single bond or double bond, and the wavy line represents an E-isomer or a Z-isomer), a salt thereof, or solvates thereof, and a pharmaceutical composition containing the compound as an active ingredient.

  以下是所描述的公式(I)[Ch. 1]的化合物，由公式(I)表示（其中k、m、n和p各自表示0到2；j和q表示0或1；R1表示卤素原子、碳氢基团、杂环基团、烷氧基、烷氧羰基基团、NH2、OH、羧基、烷酰基、CN、NO2或类似物；R2表示卤素原子、氨基基团、碳氢基团、芳香杂环基团、氧代基团或类似物；表示氧原子、-NR3-或-S（O）r-（其中r为0至2的整数）；X2表示亚甲基基团、氧原子、-NR3-（其中R3为氢原子、碳氢基团或类似物）或S（O）r-（其中r为0至2的整数）；W表示亚甲基基团、羰基基团或磺酰基基团；R7表示氢原子、碳氢基团、杂环基团或类似物；R8表示氢原子、卤素原子、碳氢基团、杂环基团，环中的X1和X2之间的断线表示两个环的缩合；环基表示五元或六元芳基环或杂芳基环；实线和L1和L2之间的断线是单键或双键，波浪线表示E-异构体或Z-异构体），其盐或溶剂化物，以及含有该化合物作为活性成分的药物组成物。
• 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。
• Pyridine derivatives for use as vanilloid receptor ligands
  申请人：Amgen, Inc

  公开号：EP1780196A2

  公开（公告）日：2007-05-02

  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、去感觉综合征、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、烧伤、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。
• HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE
  申请人：MOCHIDA PHARMACEUTICAL CO., LTD.

  公开号：EP2128157A1

  公开（公告）日：2009-12-02

  The blow-described formula (I): [Ch. 1] a compound represented by formula (I) : (wherein k, m, n, and p each represent 0 to 2; j and q represents 0 or 1; R1 represents a halogen atom, a hydrocarbon group, a heterocyclic group, an alkoxy group, an alkoxycarbonyl group, NH2, OH, a carboxyl group, an alkanoyl group, CN, NO2, or the like; R2 represents a halogen atom, an amino group, a hydrocarbon group, an aromatic heterocyclic group, an oxo group, or the like; X1 represents an oxygen atom, -NR3-, or -S(O)r- (wherein r is an integer of 0 to 2); X2 represents a methylene group, an oxygen atom, -NR3- (wherein R3 is a hydrogen atom, a hydrocarbon group, or the like), or -S(O)r- (wherein r is an integer of 0 to 2); W represents a methylene group, a carbonyl group, or a sulfonyl group; R7 represents a hydrogen atom, a hydrocarbon group, a heterocyclic group, or the like; R8 represents a hydrogen atom, a halogen atom, a hydrocarbon group, a heterocyclic group, the broken line in the ring containing X1 and X2 represents a condensation of two rings; cycle moiety represents a five- or six-memebered aryl ring or heteroaryl ring; and the solid line and the broken line between L1 and L2 are a single bond or double bond, and the wavy line represents an E-isomer or a Z-isomer), a salt thereof, or solvates thereof, and a pharmaceutical composition containing the compound as an active ingredient.

  吹气式（I）： [1] 式 (I) 所代表的化合物： (其中 k、m、n 和 p 分别代表 0 至 2；j 和 q 代表 0 或 1；R1 代表卤素原子、烃基、杂环基、烷氧基、烷氧羰基、NH2、OH、羧基、烷酰基、CN、NO2 或类似物；X1 代表氧原子、-NR3- 或 -S(O)r- （其中 r 为 0 至 2 的整数）； X2 代表亚甲基、氧原子、-NR3- （其中 R3 为氢原子、烃基或类似基团）或 -S(O)r- （其中 r 为 0 至 2 的整数）；W 代表亚甲基、羰基或磺酰基； R7 代表氢原子、烃基、杂环基或类似基团； R8 代表氢原子、卤素原子、烃基、杂环基；L1和L2之间的实线和断线为单键或双键，波浪线代表E-异构体或Z-异构体）、其盐或其溶物，以及含有该化合物作为活性成分的药物组合物。