3-bromo-2-[2'-(1H-tetrazol-5-yl)-phenyl]-5-methylbenzofuran | 143381-81-1

• 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: 3-bromo-2-[2'-(1H-tetrazol-5-yl)-phenyl]-5-methylbenzofuran
• 英文别名: 5-[2-(3-Bromo-5-methyl-2-benzofuranyl)phenyl)-1H-tetrazole；3-Bromo-2-[2-(1H-tetrazol-5-yl)phenyl]-5-methylbenzofuran；5-[2-(3-bromo-5-methyl-1-benzofuran-2-yl)phenyl]-2H-tetrazole
• CAS: 143381-81-1
• 化学式: C₁₆H₁₁BrN₄O
• 分子量: 355.194
• InChiKey: IBMAVOANTDUWJF-UHFFFAOYSA-N

物化性质

• 沸点：
  547.5±60.0 °C(Predicted)
• 密度：
  1.562±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.3
• 重原子数：
  22
• 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：

  、 3-bromo-2-[2'-(1H-tetrazol-5-yl)-phenyl]-5-methylbenzofuran 在 作用下， 生成 3-[[3-Bromo-2-[2-(2-trityltetrazol-5-yl)phenyl]-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carbaldehyde
  参考文献：
  名称：

  Bioorganic& Medicinal Chemistry Letters 1991, 1, 711-716

  摘要：

  DOI：
• 作为产物：
  描述：

  2-(5-Methyl-2-benzofuranyl)benzonitrile 生成 3-bromo-2-[2'-(1H-tetrazol-5-yl)-phenyl]-5-methylbenzofuran
  参考文献：
  名称：

  Bioorganic& Medicinal Chemistry Letters 1991, 1, 711-716

  摘要：

  DOI：

文献信息

• Benzo-fused lactams promote release of growth hormone
  申请人：Merck & Co., Inc.

  公开号：US05374721A1

  公开（公告）日：1994-12-20

  There are disclosed certain novel compounds identified as benzo-fused lactams which promote the release of growth hormone in humans and animals. This property can be utilized to promote the growth of food animals to render the production of edible meat products more efficient, and in humans, to increase the stature of those afflicted with a lack of a normal secretion of natural growth hormone. Growth promoting compositions containing such benzo-fused lactams as the active ingredient thereof are also disclosed.

  已披露了某些新型化合物，被识别为苯并融合内酰胺，能促进人类和动物体内生长激素的释放。这种特性可以用于促进食用动物的生长，使可食肉制品的生产更加高效，在人类中，可以增加那些因缺乏正常分泌天然生长激素而受影响的人的身高。还披露了含有这些苯并融合内酰胺作为活性成分的促生长组合物。
• N-acyl-n-quinolinyl or isoquinounyl alkylamino acids compositions and
  申请人：Ciba-Geigy Corporation

  公开号：US05506240A1

  公开（公告）日：1996-04-09

  The invention relates to N-acyl-N-heterocyclylalkylamino acids of the formula ##STR1## The compounds and their pharmaceutically acceptable salts can be used as antihypertensives, agents for the treatment of glaucoma, or for increasing the flow of the retinal ocular fluid.

  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。
• 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。