3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro-isoquinoline | 1153426-19-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro-isoquinoline
• 英文别名: 3-(5-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
• CAS: 1153426-19-7
• 化学式: C₁₈H₁₇N₃
• 分子量: 275.353
• InChiKey: KMUIALQXTAFDNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  40.7
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro-isoquinoline 、 2-tert-butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethyl-phenyl)-propionic acid 、 hydroxybenzotriazole monohydrate 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 在 氩 、 乙酸乙酯 、 水 、 magnesium sulfate 、 {1-(4-carbamoyl-2,6-dimethyl-benzyl)-2-oxo-2-[3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-ethyl}-carbamic acid tert-butyl ester 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 16.0h， 生成 {1-(4-carbamoyl-2,6-dimethyl-benzyl)-2-oxo-2-[3-(4-phenyl-1H-imidazol-2-yl)-3,4-dihydro-1H-isoquinolin-2-yl]-ethyl}-carbamic acid tert-butyl ester
  参考文献：
  名称：

  Piperidines as opioid receptor modulators

  摘要：

  这项发明是针对新型化合物的，作为阿片受体调节剂、拮抗剂和激动剂，用于治疗阿片调节的疾病，如疼痛和胃肠道疾病。

  公开号：

  US07659402B2
• 作为产物：
  描述：

  三氟乙酸 、 3-(4-Phenyl-1h-imidazol-2-yl)-3,4,-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester 在 三氟乙酸 、 氮气 、 二氯甲烷 、 碳酸氢钠 、 magnesium sulfate 作用下， 反应 0.75h， 生成 3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro-isoquinoline
  参考文献：
  名称：

  Compounds as opioid receptor modulators

  摘要：

  这项发明是针对新型化合物的，作为阿片受体调节剂、拮抗剂和激动剂，用于治疗阿片调节的疾病，如疼痛和胃肠疾病。

  公开号：

  US07202381B2

文献信息

• Novel compounds as opioid receptor modulators
  申请人：——

  公开号：US20040010014A1

  公开（公告）日：2004-01-15

  This invention is directed towards novel compounds as opioid receptor modulators, antagonists, and agonists useful for the treatment of opioid modulated disorders such as pain and gastrointestinal disorders.

  这项发明针对的是作为阿片受体调节剂、拮抗剂和激动剂的新型化合物，它们可用于治疗由阿片类药物调节的疾病，如疼痛和胃肠疾病。
• Process for the preparation of opioid modulators
  申请人：Cai Chaozhong

  公开号：US20060211861A1

  公开（公告）日：2006-09-21

  The present invention is directed to novel processes for the preparation of opioid modulators (agonists and antagonists) and intermediates in their synthesis. The opioid modulators are useful for the treatment and prevention of as pain and gastrointestinal disorders.

  本发明涉及用于制备阿片类药物调节剂（激动剂和拮抗剂）及其合成中间体的新工艺。这些阿片类药物调节剂可用于治疗和预防疼痛和胃肠道疾病。
• Tripeptidyl peptidase inhibitors
  申请人：——

  公开号：US20040034089A1

  公开（公告）日：2004-02-19

  The present invention is concerned with novel compounds of formula (I) which are inhibitors of a membrane tripeptidyl peptidase responsible for the inactivation of endogenous neuropeptides such as cholecystokinis (CCKs). The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicine of said compounds. 1 wherein n is an integer 0 or 1; X represents O; S; or '(CR 4 R 5 ) m — wherein m is an integer 1 or 2; R 4 and R 5 are each independently from each other hydrogen or C 1-4 alkyl; R 1 is C 1-6 alkylcarbonyl optionally substituted with hydroxy; C 1-6 alkyloxycarbonyl; aminoC 1-6 alkylcarbonyl wherein the C 1-6 alkyl group is optionally substituted with C 3-6 cycloalkyl; mono- and di(C 1-4 alkyl)aminoC 1-6 alkylcarbonyl; aminocarbonyl substituted with aryl; C 1-6 alkylcarbonyloxyC 1-6 alkylcarbonyl; C 1-6 alkyloxycarbonylaminoC 1-6 alkylcarbonyl wherein the amino group is optionally substituted with C 1-4 alkyl; an amino acid; C 1-6 alkyl substituted with amino; or arylcarbonyl; R 2 is an optionally substituted 5-membered heterocycle, or R 2 is optionally substituted benzimnidazole; R 3 is a bivalent radical —CH 2 CH 2 — optionally substituted with halo or phenylmethyl; or R 3 is a bivalent radical of formula 2

  本发明涉及公式（I）的新化合物，它们是膜三肽基肽酶的抑制剂，该酶负责失活内源性神经肽，例如胆囊收缩素（CCKs）。该发明还涉及制备这种化合物的方法，包括这些化合物的制药组合物以及这些化合物的医药用途。 其中n是整数0或1；X代表O，S或'(CR4R5)m-，其中m是整数1或2；R4和R5各自独立地为氢或C1-4烷基；R1为C1-6烷基羰基，可选地被羟基取代；C1-6烷氧羰基；氨基C1-6烷基羰基，其中C1-6烷基基团可选地被C3-6环烷基取代；单和二（C1-4烷基）氨基C1-6烷基羰基；取代芳基的氨基羰基；C1-6烷基羰氧基C1-6烷基羰基；C1-6烷氧羰基氨基C1-6烷基羰基，其中氨基团可选地被C1-4烷基取代；氨基酸；取代氨基的C1-6烷基；或芳基羰基；R2为可选地取代的5-成员杂环，或R2为可选地取代的苯并咪唑；R3为可选地取代的-CH2CH2-的二价基团，或R3为公式2的二价基团
• TRIPEPTIDYL PEPTIDASE INHIBITORS
  申请人：Breslin Joseph Henry

  公开号：US20080108653A1

  公开（公告）日：2008-05-08

  The present invention is concerned with novel compounds of formula (I) which are inhibitors of a membrane tripeptidyl peptidase responsible for the inactivation of endogenous neuropeptides such as cholecystokinis (CCKs). The invention further relates to methods for preparing such compounds, pharmaceutical compositions comprising said compounds as well as the use as a medicine of said compounds. wherein n is an integer 0 or 1; X represents O; S; or —(CR 4 R 5 ) m — wherein m is an integer 1 or 2; R 4 and R 5 are each independently from each other hydrogen or C 1-4 alkyl; R 1 is C 1-6 alkylcarbonyl optionally substituted with hydroxy; C 1-6 alkyloxycarbonyl; aminoC 1-6 alkylcarbonyl wherein the C 1-6 alkyl group is optionally substituted with C 3-6 cycloalkyl; mono- and di(C 1-4 alkyl)aminoC 1-6 alkylcarbonyl; aminocarbonyl substituted with aryl; C 1-6 alkylcarbonyloxyC 1-6 alkylcarbonyl; C 1-6 alkyloxycarbonylaminoC 1-6 alkylcarbonyl wherein the amino group is optionally substituted with C 1-4 alkyl; an amino acid; C 1-6 alkyl substituted with amino; or arylcarbonyl; R 2 is an optionally substituted 5-membered heterocycle, or R 2 is optionally substituted benzimidazole; R 3 is a bivalent radical —CH 2 CH 2 — optionally substituted with halo or phenylmethyl; or R 3 is a bivalent radical of formula

  本发明涉及公式（I）的新化合物，该化合物是膜三肽基肽酶的抑制剂，该酶负责失活内源性神经肽，如胆囊收缩素（CCK）。本发明还涉及制备此类化合物的方法，包括含有该化合物的制药组合物以及该化合物作为药物的用途。 其中，n是整数0或1；X代表O、S或-（CR4R5）m-，其中m是整数1或2；R4和R5各自独立于氢或C1-4烷基；R1是C1-6烷基羰基，可选地取代羟基；C1-6烷氧羰基；氨基C1-6烷基羰基，其中C1-6烷基基团可选地取代C3-6环烷基；单和双（C1-4烷基）氨基C1-6烷基羰基；取代芳基的氨基羰基；C1-6烷基羰氧基C1-6烷基羰基；C1-6烷氧羰基氨基C1-6烷基羰基，其中氨基可选地取代C1-4烷基；氨基酸；取代氨基的C1-6烷基；或芳基羰基；R2是可选取代的5-成员杂环，或R2是可选取代的苯并咪唑；R3是二价基团-CH2CH2-，可选地取代卤素或苯甲基；或R3是公式的二价基团
• Compounds as opioid receptor modulators
  申请人：Janssen Pharmaceutica, NV

  公开号：US07202381B2

  公开（公告）日：2007-04-10

  This invention is directed towards novel compounds as opioid receptor modulators, antagonists, and agonists useful for the treatment of opioid modulated disorders such as pain and gastrointestinal disorders.

  这项发明是针对新型化合物的，作为阿片受体调节剂、拮抗剂和激动剂，用于治疗阿片调节的疾病，如疼痛和胃肠疾病。