2-[2'-(1H-tetrazol-5-yl)-phenyl]-5-methylbenzofuran | 143381-80-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 2-芳基苯并呋喃类黄酮
• 英文名称: 2-[2'-(1H-tetrazol-5-yl)-phenyl]-5-methylbenzofuran
• 英文别名: 5-[2-(5-Methyl-2-benzofuranyl)phenyl]-1H-tetrazole；2-[2-(1H-Tetrazol-5-yl)phenyl]-5-methylbenzofuran；5-[2-(5-methyl-1-benzofuran-2-yl)phenyl]-2H-tetrazole
• CAS: 143381-80-0
• 化学式: C₁₆H₁₂N₄O
• 分子量: 276.297
• InChiKey: RJIVLBOBYLNSSL-UHFFFAOYSA-N

物化性质

• 沸点：
  522.7±52.0 °C(Predicted)
• 密度：
  1.308±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  67.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-[2'-(1H-tetrazol-5-yl)-phenyl]-5-methylbenzofuran 在 盐酸 、 溴 作用下， 以 1,4-二氧六环 、 四氯化碳 、 sodium hydroxide 、 环己烯 为溶剂， 生成 3-bromo-2-[2'-(1H-tetrazol-5-yl)-phenyl]-5-methylbenzofuran
  参考文献：
  名称：

  N-acyl-n-quinolinyl or isoquinounyl alkylamino acids compositions and

  摘要：

  该发明涉及公式为N-acyl-N-杂环烷基氨基酸的化合物。这些化合物及其药用盐可用作降压药、治疗青光眼的药物，或用于增加视网膜眼液的流动。

  公开号：

  US05506240A1
• 作为产物：
  描述：

  2-(5-Methyl-2-benzofuranyl)benzonitrile 、 三甲基甲硅烷基锡 在 氮气 、 正己烷 、 sodium hydroxide 、 乙酸乙酯 、 盐酸 、 氯化钠 、 magnesium sulfate 作用下， 以 甲苯 为溶剂， 反应 97.0h， 以to give 12.97 g (47 mmol,57%) of the product as fluffy, white crystals的产率得到2-[2'-(1H-tetrazol-5-yl)-phenyl]-5-methylbenzofuran
  参考文献：
  名称：

  Benzo-fused lactams promote release of growth hormone

  摘要：

  公开了一些新型化合物，被鉴定为苯并咯内酰胺，它们可以促进人类和动物的生长激素释放。这种特性可以用于促进食用动物的生长，使生产可食用肉制品更加高效，同时在人类中，可以增加那些缺乏正常分泌天然生长激素的人的身高。公开了含有这种苯并咯内酰胺作为活性成分的促生长组合物。

  公开号：

  US05374721A1

文献信息

• N-acyl-N-heterocyclylalkylamino acid compounds and method of use thereof
  申请人：Ciba-Geigy Corporation

  公开号：US05620998A1

  公开（公告）日：1997-04-15

  The invention relates to N-acyl-N-heterocyclylalkylamino acids of the formula ##STR1## wherein Y.sub.1 is O, S or N(R) and R is hydrogen or C.sub.1 -C.sub.7 alkyl; X.sub.1 is --CO-- or --S(O).sub.m -- and the index m is 0, 1 or 2; one of the variables X.sub.2 and X.sub.4 is C.sub.1 -C.sub.4 alkylene and the other of the variables X.sub.2 and X.sub.4 is a bond; or each of the variables X.sub.2 and X.sub.4 is a bond; X.sub.3 is C.sub.3 -C.sub.7 cycloalkylidene or the structural element --C(X.sub.a)(X.sub.b)-- and X.sub.a is hydrogen or C.sub.1 -C.sub.7 alkyl and X.sub.b is C.sub.1 -C.sub.7 alkyl; and the rings A, B and C, with the exception of the substituents indicated in the formula, and also aromatic substituents are, independently of one another, unsubstituted or mono- or poly-substituted by substituents selected from the group consisting of halogen, C.sub.1 -C.sub.7 alkyl, C.sub.1 -C.sub.7 alkoxy, C.sub.2 -C.sub.7 alkenyloxy, phenoxy, benzyloxy, trifluoromethyl and S(O).sub.m --R, wherein m is 0, 1 or 2 and R is hydrogen or C.sub.1 -C.sub.7 alkyl; or a salt thereof.

  本发明涉及式（I）的N-酰基-N-杂环基烷基氨基酸，其中Y1为O，S或N（R），R为氢或C1-C7烷基；X1为--CO--或--S（O）m--，指数m为0，1或2；变量X2和X4中的一个为C1-C4烷基，另一个为键；或变量X2和X4均为键；X3为C3-C7环烷基亚甲基或结构元素--C（Xa）（Xb）--，其中Xa为氢或C1-C7烷基，Xb为C1-C7烷基；除公式中指示的取代基外，环A、B和C以及芳香族取代基独立地未取代或被取代为单个或多个来自卤素、C1-C7烷基、C1-C7烷氧基、C2-C7烯基氧基、苯氧基、苄氧基、三氟甲基和S（O）m--R的取代基中选择的取代基；或其盐。
• N-acyl-N-heterocyclylalkyamino acids compositions and method of use
  申请人：Ciba-Geigy Corporation

  公开号：US05955487A1

  公开（公告）日：1999-09-21

  The invention relates to N-acyl-N-heterocyclylalkylamino acids of the formula ##STR1## R.sub.1 is C.sub.1 -C.sub.7 alkyl that is unsubstituted or substituted by halogen or by hydroxy, or is C.sub.2 -C.sub.7 -alkenyl, C.sub.3 -C.sub.7 cycloalkyl, C.sub.3 -C.sub.7 cycloalkoxy, C.sub.1 -C.sub.7 alkoxy or C.sub.3 -C.sub.7 cycloalkyl-C.sub.1 -C.sub.7 alkoxy; R.sub.2 is 1H-tetrazol-5-yl, carboxy, C.sub.1 -C.sub.7 alkoxycarbonyl, SO.sub.3 H, PO.sub.2 H.sub.2, PO.sub.3 H.sub.2 or halo-C.sub.1 -C.sub.7 alkanesulfonylamino; R.sub.3 is 1H-tetrazol-5-yl, hydroxymethyl, C.sub.1 -C.sub.7 alkoxymethyl, formyl, carboxy, C.sub.1 -C.sub.7 alkoxycarbonyl, C.sub.1 -C.sub.7 alkoxy-C.sub.1 -C.sub.7 alkoxycarbonyl, phenyl-C.sub.1 -C.sub.4 alkoxycarbonyl or carbamoyl, the amino group of which is unsubstituted or mono-substituted by C.sub.1 -C.sub.7 alkyl, C.sub.3 -C.sub.7 alkenyl or by phenyl-C.sub.1 -C.sub.7 alkyl or di-substituted by C.sub.1 -C.sub.7 alkyl, C.sub.3 -C.sub.7 alkenyl or by phenyl-C.sub.1 -C.sub.7 alkyl independently of one another, or is di-substituted by C.sub.2 -C.sub.7 alkylene or by C.sub.2 -C.sub.4 alkyleneoxy-C.sub.2 -C.sub.4 alkylene; Alk is methylene, ethylene or ethylidene; and their salts; preparation processes, pharmaceutical compositions comprising a compound of formula I or a pharmaceutically acceptable salt thereof, and use.

  本发明涉及式为##STR1##的N-酰基-N-杂环基烷基氨基酸；其中，R.sub.1是未取代或被卤素或羟基取代的C.sub.1-C.sub.7烷基，或是C.sub.2-C.sub.7烯基，C.sub.3-C.sub.7环烷基，C.sub.3-C.sub.7环烷氧基，C.sub.1-C.sub.7烷氧基或C.sub.3-C.sub.7环烷基-C.sub.1-C.sub.7烷氧基；R.sub.2是1H-四唑-5-基，羧基，C.sub.1-C.sub.7烷氧羰基，SO.sub.3H，PO.sub.2H.sub.2，PO.sub.3H.sub.2或卤代的C.sub.1-C.sub.7烷基磺酰氨基；R.sub.3是1H-四唑-5-基，羟甲基，C.sub.1-C.sub.7烷氧甲基，甲酰基，羧基，C.sub.1-C.sub.7烷氧羰基，C.sub.1-C.sub.7烷氧基-C.sub.1-C.sub.7烷氧羰基，苯基-C.sub.1-C.sub.4烷氧羰基或氨基，其氨基未被取代或被C.sub.1-C.sub.7烷基，C.sub.3-C.sub.7烯基或苯基-C.sub.1-C.sub.7烷基单取代或C.sub.1-C.sub.7烷基，C.sub.3-C.sub.7烯基或苯基-C.sub.1-C.sub.7烷基双取代，且彼此独立，或被C.sub.2-C.sub.7烷基或C.sub.2-C.sub.4烷氧基-C.sub.2-C.sub.4烷基双取代；Alk是亚甲基，乙烯基或乙基亚甲基；以及它们的盐；制备方法，包括式I化合物或其药学上可接受的盐的制药组合物，以及用途。
• Benzofuran derivatives
  申请人：GLAXO GROUP LIMITED

  公开号：EP0434249A2

  公开（公告）日：1991-06-26

  The invention provides compounds of the general formula (I) or a physiologically acceptable salt, solvate or non-toxic metabolically labile ester thereof wherein    R¹ represents a hydrogen atom or a halogen atom or a group selected from C₁₋₆alkyl, C₂₋₆alkenyl, fluoroC₁₋₆alkyl, C₁₋₆alkoxy, ―CHO, ―CO₂H or ―COR²;    Ar represents the group    R² represents a group selected from C₁₋₆alkyl, C₂₋₆alkenyl, C₁₋₆alkoxy or the group ―NR¹⁰R¹¹;    R³ represents a group selected from ―CO₂H, ―NHSO₂CF₃ or a C-linked tetrazolyl group;    R⁴ and R⁵, which may be the same or different, each independently represent a hydrogen atom or a halogen atom or a C₁₋₆alkyl group;    Het represents an N-linked imidazolyl group optionally substituted at the 2-position by a C₁₋₆alkyl, C₂₋₆alkenyl or a C₁₋₆alkylthio group, the imidazolyl group optionally being substituted at the 4- and 5- positions by one or two further substituents selected from a halogen atom or group selected from cyano, nitro, C₁₋₆alkyl, C₂₋₆alkenyl, fluoroC₁₋₆alkyl, ―(CH₂)mR⁶, ―(CH₂)nCOR⁷ or ―(CH₂)pNR⁸COR⁹;    R⁶ represents a hydroxy or C₁₋₆alkoxy group;    R⁷ represents a hydrogen atom or a group selected from hydroxy, C₁₋₆alkyl, C₁₋₆alkoxy, phenyl, phenoxy or the group ―NR¹⁰R¹¹;    R⁸ represents a hydrogen atom or a C₁₋₆alkyl group;    R⁹ represents a hydrogen atom or a group selected from C₁₋₆alkyl, C₁₋₆alkoxy, phenyl, phenoxy or the group ―NR¹⁰R¹¹;    R¹⁰ and R¹¹ which may be the same or different, each independently represent a hydrogen atom or a C₁₋₄alkyl group or ―NR¹⁰R¹¹ forms a saturated heterocyclic ring which has 5 or 6 ring members and may optionally contain in the ring one oxygen atom;    m represents an integer from 1 to 4;    n represents an integer from 0 to 4; and    p represents an integer from 1 to 4. The compounds may be used in the treatment or prophylaxis of hypertension and diseases associated with cognitive disorders.

  本发明提供通式 (I) 的化合物 或其生理学上可接受的盐、溶液或无毒代谢易变酯 其中 R¹ 代表氢原子或卤原子或选自 C₁₋₆烷基、C₂₋₆烯基、氟 C₁₋₆烷基、C₁₋₆烷氧基、-CHO、-CO₂H 或 -COR² 的基团； Ar 代表基团 R² 代表选自 C₁₋₆烷基、C₂₋₆烯基、C₁₋₆烷氧基或 -NR¹⁰R¹ 的基团； R³ 代表选自 -CO₂H、-NHSO₂CF₃ 或 C 联四唑基的基团； R⁴ 和 R⁵ 可以相同或不同，各自独立地代表氢原子、卤素原子或 C₁₋₆ 烷基； Het 代表在 2 位被 C₁₋₆烷基、C₂₋₆烯基或 C₁₋₆烷硫基任选取代的 N-连接咪唑基、咪唑基可选择在 4-和 5-位被一个或两个取代基取代，这些取代基可选 自卤素原子或选自氰基的基团、硝基、C₂₋₆烷基、芴基、-(CH₂)mR⁶、-(CH₂)nCOR⁷或-(CH₂)pNR⁸COR⁹； R⁶ 代表羟基或 C₁₋₆ 烷氧基； R⁷ 代表氢原子或选自羟基、C₁₋₆烷基、C₁₋₆烷氧基、苯基、苯氧基或基团-NR¹⁰R¹¹的基团； R⁸ 代表氢原子或 C₁₋₆ 烷基； R⁹ 代表氢原子或选自 C₁₋₆烷基、C₁₋₆烷氧基、苯基、苯氧基或基团 -NR¹⁰R¹¹ 的基团； R¹⁰和 R¹¹可以相同或不同，各自独立地代表氢原子或 C₁₋₄烷基或-NR¹⁰R¹¹形成饱和杂环，该杂环有 5 或 6 个环状成员，环中可任选含有一个氧原子； m 代表 1 至 4 的整数； n 代表 0 至 4 的整数；以及 p 代表 1 至 4 的整数。 这些化合物可用于治疗或预防高血压和与认知障碍有关的疾病。
• N-Imidazolylmethyl benzofuran derivatives as inhibitors of angiotensin II activity
  申请人：GLAXO GROUP LIMITED

  公开号：EP0505954A1

  公开（公告）日：1992-09-30

  The invention provides compounds of the general formula (I): or a physiologically acceptable salt, solvate or metabolically labile ester thereof wherein R¹ represents a hydrogen atom or a halogen atom or a group selected from C₁₋₆alkyl, C₂₋₆alkenyl, fluoroC₁₋₆alkyl, C₁₋₆alkoxy ,-CHO, -CO₂H or -COR²; Ar represents the group R² represents a group selected from C₁₋₆alkyl, C₂₋₆alkenyl, C₁₋₆alkoxy or the group -NR¹²R¹³; R³ represents a group selected from -CO₂H, -NHSO₂CF₃ or a C-linked tetrazolyl group; R⁴ and R⁵ which may be the same or different each independently represent a hydrogen atom or a halogen atom or a C₁₋₆alkyl group; Het represents the group R⁶ represents a hydrogen atom or a group selected from C₁₋₆alkyl, C₂₋₆alkenyl, C₁₋₆alkylthio, C₁₋₆alkoxy, C₃₋₇cycloalkyl or C₃₋₇cycloalkylC₁₋₄alkyl; R⁷ represents a hydrogen atom or a halogen atom or a group selected from C₁₋₆alkyl, C₂₋₆alkenyl or fluoroC₁₋₆alkyl; R⁸ represents a hydrogen atom or a C₁₋₆alkyl group; R⁹ represents a hydrogen atom or a group selected from phenyl or C₁₋₆alkyl, optionally substituted by a phenyl, hydroxyphenyl, hydroxyl, amino, guanidino, imidazolyl, indolyl, mercapto, C₁₋₆alkylthio, carboxyl or amido group; or R⁸ and R⁹, when taken together, form an alkylene bridge of 2, 3 or 4 carbon atoms; R¹⁰ represents a hydrogen atom or a C₁₋₆alkyl group; R¹¹ represents a group selected from hydroxyl, C₁₋₆alkoxy, C₂₋₆alkenoxy or -NR¹²R¹³; R¹² and R¹³, which may be the same or different, each independently represent a hydrogen atom or a C₁₋₄alkyl group or -NR¹²R¹³ forms a saturated heterocyclic ring which has 5 or 6 ring members and may optionally contain in the ring one oxygen atom; m represents zero or an integer from 1 to 4; and n represents zero or an integer from 1 to 3; with the proviso that when n represents an integer from 1 to 3, R⁹ and R¹⁰ both represent hydrogen atoms. The compounds may be used in the treatment or prophylaxis of hypertension and diseases associated with cognitive disorders.

  本发明提供通式 (I) 的化合物： 或其生理上可接受的盐、溶解物或代谢易变酯 其中 R¹ 代表氢原子或卤素原子或选自 C₁₋₆ 烷基、C₂₋₆烯基、氟 C₁₋₆ 烷基、C₁₋₆ 烷氧基、-CHO、-CO₂H 或 -COR² 的基团； Ar 代表以下基团 R² 代表选自 C₁₋₆烷基、C₂₋₆烯基、C₁₋₆烷氧基或 -NR¹²R¹³ 的基团； R³ 代表选自-CO₂H、-NHSO₂CF₃或 C-连环四唑基的基团； R⁴ 和 R⁵ 可以相同或不同，各自独立地代表氢原子、卤素原子或 C₁₋₆ 烷基； Het 代表以下基团 R⁶ 代表氢原子或选自 C₁₋₆烷基、C₂₋₆烯基、C₁₋₆烷硫基、C₁₋₆烷氧基、C₃₋₇cycloalkylC₁₋₄烷基的基团； R⁷ 代表氢原子或卤原子或选自 C₁₋₆烷基、C₂₋₆烯基或氟 C₁₋₆烷基的基团； R⁸ 代表氢原子或 C₁₋₆ 烷基； R⁹ 代表氢原子或选自苯基或 C₁₋₆烷基的基团，可选择被苯基、羟基苯基、羟基、氨基、胍基、咪唑基、吲哚基、巯基、C₁₋₆烷硫基、羧基或氨基取代；或 R⁸ 和 R𠞙 结合在一起时，形成 2、3 或 4 个碳原子的亚烷基桥； R¹⁰ 代表氢原子或 C₁₋₆ 烷基； R¹¹ 代表选自羟基、C₁₋₆烷氧基、C₂₋₆烯氧基或 -NR¹²R¹³ 的基团； R¹²和 R¹³可以相同或不同，各自独立地代表氢原子或 C₁₋₄烷基或 -NR¹²R¹³ 形成饱和杂环，该杂环有 5 或 6 个环成员，环中可任选含有一个氧原子； m 代表零或 1 至 4 的整数；以及 n 代表零或 1 至 3 的整数；但当 n 代表 1 至 3 的整数时，R⁹ 和 R¹⁰ 均代表氢原子。 这些化合物可用于治疗或预防高血压和与认知障碍有关的疾病。
• Antihypertensive benzofuran derivatives, substituted by varied N-pyrimidinyl- or N-imidazolyl-methyl groups
  申请人：GLAXO GROUP LIMITED

  公开号：EP0514192A1

  公开（公告）日：1992-11-19

  The invention provides compounds of the general formula (I): or a physiologically acceptable salt, solvate or metabolically labile ester thereof wherein R¹ and Ar are described in the Claims and Het represents a group selected from or and R⁶, R⁷, R⁸, R¹⁶, R¹⁷, R²⁸, R²⁹, R³⁰, R³¹, X¹, Z¹ and A are a variety of substituents and groups. The compounds may be used in the treatment or prophylaxis of hypertension and diseases associated with cognitive disorders.

  本发明提供通式 (I) 的化合物： 或其生理学上可接受的盐、溶液或代谢易变酯 其中 R¹ 和 Ar 如权利要求所述，且 Het 代表选自以下的基团 或 和 R⁶、R⁷、R⁸、R¹⁶、R¹⁷、R²⁸、R²⁹、R³⁰、R³¹、X¹、Z¹ 和 A 是各种取代基和基团。 这些化合物可用于治疗或预防高血压和与认知障碍有关的疾病。