3-benzyl-6-carbethoxy-3,6-diazabicyclo<3.2.2>nonane | 112375-06-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 3-benzyl-6-carbethoxy-3,6-diazabicyclo<3.2.2>nonane
• 英文别名: 3-benzyl-6-ethoxycarbonyl-3,6-diazabicyclo[3.2.2]nonane；3-benzyl-6-carboethoxy-3,6-diazabicyclo[3.2.2]nonane；Ethyl 3-(phenylmethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate；ethyl 3-benzyl-3,6-diazabicyclo[3.2.2]nonane-6-carboxylate
• CAS: 112375-06-1
• 化学式: C₁₇H₂₄N₂O₂
• 分子量: 288.39
• InChiKey: IYQHIBQJNDNQMQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  32.8
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-benzyl-6-carbethoxy-3,6-diazabicyclo<3.2.2>nonane 在 lithium aluminium tetrahydride 作用下， 以 乙醚 为溶剂， 反应 2.0h， 以90%的产率得到3-benzyl-6-methyl-3,6-diazabicyclo<3.2.2>nonane
  参考文献：
  名称：

  A convenient synthesis of 3,6-disubstituted 3,6-diazabicyclo[3.2.2]nonanes and 3,6-diazabicyclo[3.2.1]octanes

  摘要：

  DOI：

  10.1021/jo00239a047
• 作为产物：
  描述：

  2-氮杂双环[2,2,2]辛-5-烯-2-羧酸乙酯 、 benzylamine hydrochloride 以33%的产率得到
  参考文献：
  名称：

  FRAY, ANDREW H.;AUGERI, DAVID J.;KLEINMAN, EDWARD F., J. ORG. CHEM., 53,(1988) N 4, 896-899

  摘要：

  DOI：

文献信息

• Bridged-diazabicycloalkyl quinolone carboxylic acids and esters
  申请人：PFIZER INC.

  公开号：EP0297858A3

  公开（公告）日：1990-05-30

  Compounds of the formula and pharmaceutically acceptable acid addition salts thereof, wherein     R¹ is hydrogen, (C₁-C₆)alkyl, or a pharmaceutical­ly acceptable cation;     R² is ethyl, fluoroethyl, p-fluorophenyl, p-hydroxyphenyl or cyclopropyl;     R³ is fluorine or hydrogen; and     R⁴ is wherein n is 1 or 2 and R⁵ is hydrogen or (C₁-C₃)alkyl are disclosed. Also disclosed are antibacterial pharmaceutical compositions comprising the foregoing compounds, methods of using the compounds in treating bacterial infections, and intermediates for the preparation of the compounds.

  该公式化合物及其药用酸盐包括以下成分，其中R¹为氢、(C₁-C₆)烷基或药用阳离子；R²为乙基、氟乙基、对氟苯基、对羟基苯基或环丙基；R³为氟或氢；R⁴为其中n为1或2，R⁵为氢或(C₁-C₃)烷基。还披露了包含上述化合物的抗菌药物组合物、使用这些化合物治疗细菌感染的方法，以及制备这些化合物的中间体。
• Isoquinoline derivatives and drugs
  申请人：Nippon Shinyaku Co., Ltd.

  公开号：US06153608A1

  公开（公告）日：2000-11-28

  The invention relates to a compound of the following general formula [I] or a medicinally acceptable salt thereof, or a solvate thereof, ##STR1## wherein R.sup.1 represents alkyl, alkenyl, alkynyl, alkoxy, hydroxy, cyano, or halogen; R.sup.2 represents hydrogen, hydroxy, or halogen; R.sup.3 represents hydrogen, alkyl, or amidino; Ring A represents a 5 to 11-membered cyclic amino group which may be substituted, which cyclic amino group may be bridged between two carbon atoms in optional positions. The compound of this invention is useful for the prevention or treatment of cerebral tissue impairment due to the vasospasm following cerebral hemorrhage.

  该发明涉及以下一般式[I]的化合物或其药用可接受的盐或其溶剂化合物，其中R.sup.1代表烷基，烯基，炔基，烷氧基，羟基，氰基或卤素；R.sup.2代表氢，羟基或卤素；R.sup.3代表氢，烷基或酰胺基；环A代表一个5到11个成员的环状氨基团，该氨基团可能被取代，该环状氨基团可能在可选位置之间由两个碳原子桥接。该发明的化合物可用于预防或治疗由于蛛网膜下腔出血后脑血管痉挛引起的脑组织损伤。
• Pharmaceutical compositions and methods for use
  申请人：——

  公开号：US20020013309A1

  公开（公告）日：2002-01-31

  The present invention relates to diazabicyclic compounds, preferably to N-aryl diazabicyclic compounds. Of particular interest are 2-pyridyl diazabicyclic compounds, such as (1S,4S)-2-(5-(3-methoxyphenoxy)-3-pyridyl)-2,5-diazabicyclo[2.2.1]heptane. Other exemplary compounds of the present invention include: (1S,4S)-2-(5-(4-methoxyphenoxy)-3-pyridyl)-2,5-diazabicyclo[2.2.1 ]heptane, (1S,4S)-2-(5-(3,4-dimethoxyphenoxy)-3-pyridyl)-2,5-diazabicyclo[2.2.1]heptane, (1S,4S)-2-(5-(4-fluorophenoxy)-3-pyridyl)-2,5-diazabicyclo[2.2.1 ]heptane, and (1S,4S)-2-(5-benzoyl-3-pyridyl)-2,5-diazabicyclo[2.2.1]heptane. The present invention also relates to prodrug derivatives of the compounds of the present invention.

  本发明涉及二氮杂双环化合物，优选为N-芳基二氮杂双环化合物。特别感兴趣的是2-吡啶基二氮杂双环化合物，例如(1S,4S)-2-(5-(3-甲氧基苯氧基)-3-吡啶基)-2,5-二氮杂双环[2.2.1]庚烷。本发明的其他示例化合物包括：(1S,4S)-2-(5-(4-甲氧基苯氧基)-3-吡啶基)-2,5-二氮杂双环[2.2.1]庚烷，(1S,4S)-2-(5-(3,4-二甲氧基苯氧基)-3-吡啶基)-2,5-二氮杂双环[2.2.1]庚烷，(1S,4S)-2-(5-(4-氟苯氧基)-3-吡啶基)-2,5-二氮杂双环[2.2.1]庚烷和(1S,4S)-2-(5-苯甲酰基-3-吡啶基)-2,5-二氮杂双环[2.2.1]庚烷。本发明还涉及本发明化合物的前药衍生物。
• ISOQUINOLINE DERIVATIVES AND DRUGS
  申请人：NIPPON SHINYAKU COMPANY, LIMITED

  公开号：EP0885888A1

  公开（公告）日：1998-12-23

  The invention relates to a compound of the following general formula [I] or a medicinally acceptable salt thereof, or a solvate thereof, wherein R1 represents alkyl, alkenyl, alkynyl, alkoxy, hydroxy, cyano, or halogen; R2 represents hydrogen, hydroxy, or halogen; R3 represents hydrogen, alkyl, or amidino; Ring A represents a 5 to 11-membered cyclic amino group which may be substituted, which cyclic amino group may be bridged between two carbon atoms in optional positions. The compound of this invention is useful for the prevention or treatment of cerebral tissue impairment due to the vasospasm following cerebral hemorrhage.

  本发明涉及下式通式[I]的化合物或其药用盐或其溶液、 其中 R1 代表烷基、烯基、炔基、烷氧基、羟基、氰基或卤素；R2 代表氢、羟基或卤素；R3 代表氢、烷基或脒基；环 A 代表可被取代的 5 至 11 元环氨基，该环氨基可在任选位置的两个碳原子之间桥接。 本发明的化合物可用于预防或治疗脑出血后血管痉挛引起的脑组织损伤。
• KLEINMAN, EDWARD
  作者：KLEINMAN, EDWARD

  DOI：——

  日期：——