3-Methyl-3-aza-bicyclo<3.2.1>octan-8-on | 4146-34-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂环庚烷
• 英文名称: 3-Methyl-3-aza-bicyclo<3.2.1>octan-8-on
• 英文别名: 3-Methyl-3-azabicyclo[3.2.1]octan-8-one
• CAS: 4146-34-3
• 化学式: C₈H₁₃NO
• mdl: MFCD19442723
• 分子量: 139.197
• InChiKey: PWDMSFNAQAQMBT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  20.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-Methyl-3-aza-bicyclo<3.2.1>octan-8-on 在 palladium on activated charcoal 氢气 、 sodium hydride 作用下， 以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 60.5h， 生成 ethyl (3-methyl-3-azabicyclo[3.2.1]oct-8-yl)acetate
  参考文献：
  名称：

  10H-吡嗪并[2,3-b] [1,4]苯并噻嗪的哌啶羧酸衍生物作为口服活性黏附分子抑制剂。

  摘要：

  制备了10H-吡嗪并[2,3-b] [1,4]苯并噻嗪的新型哌啶羧酸衍生物，并评价了其对粘附分子如细胞间粘附分子-1（ICAM-1）上调的抑制活性。用含有羧酸的部分取代先前制备的衍生物的哌啶环上的甲磺酰基基团产生了许多有效的粘附分子抑制剂。其中，（反）[3-（10H-吡嗪并[2,3-b] [1,4]苯并噻嗪-8-基）甲基-3-氮杂双环[3.3.1]非-9-基]乙酸2q （ER-49890）在使用小鼠的白介素1（IL-1）诱导的爪炎症模型中显示出对中性粒细胞迁移的最强口服抑制活性，在大鼠角叉菜胶胸膜炎模型中显示了白细胞积累以及对胶原蛋白的治疗作用诱发的大鼠关节炎。

  DOI：

  10.1248/cpb.52.675

文献信息

• Phthalazine derivatives and remedies for erectile dysfunction
  申请人：Eisai Co., Ltd.

  公开号：US06498159B1

  公开（公告）日：2002-12-24

  The present invention provides a phthalazine compound as a therapeutic agent for erectile dysfunction represented by the following formula, a pharmacologically acceptable salt thereof or a hydrate thereof: wherein R1 and R2 are the same as or different from each other and represent a halogen atom, a C1 to C4 alkyl group which may be substituted with a halogen atom, a C1 to C4 alkoxy group which may be substituted with a halogen atom or a cyano group; X represents a cyano group, a nitro group, a halogen atom, a hydroxyimino group which may be substituted or a heteroaryl group which may be substituted; Y represents a heteroaryl group, an aryl group which may be substituted, an alkynyl group which may substituted, an alkenyl group, an alkyl group, an optionally substituted saturated or unsaturated 4- to 8-membered amine ring, and the cyclic amine compound is a monocyclic compound, bicyclic compound or a spiro compound; l is an integer of 1 to 3; provided that the case where l is 1 or 2, X is a cyano group, a nitro group or a chlorine atom, R1 is a chlorine atom, R2 is a methoxy group and Y is a 5- or 6-membered amine ring substituted with a hydroxyl group is excluded.

  本发明提供了一种邻苯二氮杂环化合物，作为下式所代表的勃起功能障碍的治疗剂，其药理学上可接受的盐或水合物： 其中R1和R2相同或不同，分别代表卤素原子、可能被卤素原子取代的C1到C4烷基、可能被卤素原子取代的C1到C4烷氧基或氰基；X代表氰基、硝基、卤素原子、可能被取代的羟基亚胺基团或可能被取代的杂芳基团；Y代表杂芳基团、可能被取代的芳基团、可能被取代的炔基团、烯基团、烷基团、可选择地取代的饱和或不饱和的4-至8-成员氨基环，且环状胺化合物是单环化合物、双环化合物或螺环化合物；l为1到3的整数；但在l为1或2的情况下，X为氰基、硝基或氯原子，R1为氯原子，R2为甲氧基团，Y为取代羟基的5-或6-成员氨基环的情况除外。
• Synthesis, structural and conformational study of 3-methyl-3-azabicyclo[3.2.1]octan-8-one and 3-methyl-3-azabicyclo[3.3.1]nonan-9-one oximes
  作者：I Iriepa、A.I Madrid、E Gálvez、J Bellanato

  DOI：10.1016/s0022-2860(02)00684-1

  日期：2003.6

  Abstract Two oximes derived from 3-methyl-3-azabicyclo[3.2.1]octan-8-one ( I ) and 3-methyl-3-azabicyclo[3.3.1]nonan-9-one ( II ) were synthesized and studied by IR, 1 H and 13 C NMR spectroscopy. Compound I adopts in CDCl 3 a chair-envelope conformation with the N–CH 3 group in equatorial position. Compound II adopts a flattened chair–chair conformation with N–CH 3 substituent in equatorial disposition

  摘要 合成并研究了由3-甲基-3-氮杂双环[3.2.1]辛烷-8-酮(I)和3-甲基-3-氮杂双环[3.3.1]壬烷-9-酮(II)衍生的两种肟。通过 IR、 1 H 和 13 C NMR 光谱。化合物I在CDCl 3 中采用椅子-包络构象，N-CH 3 基团位于赤道位置。化合物II在赤道配置中采用带有N-CH 3 取代基的扁平椅椅构象。
• Phthalazine compounds and therapeutic agents for erectile dysfunction
  申请人：Eisai Co., Ltd.

  公开号：US20030105074A1

  公开（公告）日：2003-06-05

  The present invention provides a phthalazine compound as a therapeutic agent for erectile dysfunction represented by the following formula, a pharmacologically acceptable salt thereof or a hydrate thereof: 1 wherein R 1 and R 2 are the same as or different from each other and represent a halogen atom, a C1 to C4 alkyl group which may be substituted with a halogen atom, a C1 to C4 alkoxy group which may be substituted with a halogen atom or a cyano group; X represents a cyano group, a nitro group, a halogen atom, a hydroxyimino group which may be substituted or a heteroaryl group which may be substituted; Y represents a heteroaryl group, an aryl group which may be substituted, an alkynyl group which may substituted, an alkenyl group, an alkyl group, an optionally substituted saturated or unsaturated 4- to 8-membered amine ring, and the cyclic amine compound is a monocyclic compound, bicyclic compound or a spiro compound; l is an integer of 1 to 3; provided that the case where l is 1 or 2, X is a cyano group, a nitro group or a chlorine atom, R 1 is a chlorine atom, R 2 is a methoxy group and Y is a 5- or 6-memberred amine ring substituted with a hydroxyl group is excluded.

  本发明提供了一种治疗勃起功能障碍的邻苯二氮杂环化合物，其化学式如下，其药理学上可接受的盐或水合物：1其中，R1和R2相同或不同，表示卤素原子、可能被卤素原子取代的C1到C4烷基、可能被卤素原子取代的C1到C4烷氧基或氰基；X表示氰基、硝基、卤素原子、可能被取代的羟肟基或可能被取代的杂环基；Y表示杂环基、可能被取代的芳基、可能被取代的炔基、烯基、烷基、可选取代的饱和或不饱和4-至8环胺环，所述的环胺化合物是单环化合物、双环化合物或螺环化合物；l是1到3的整数；但当l为1或2时，X为氰基、硝基或氯原子，R1为氯原子，R2为甲氧基，Y为取代有羟基的5-或6环胺环时，不在此范围内。
• Substituted benzamides
  申请人：BEECHAM GROUP PLC

  公开号：EP0212802A1

  公开（公告）日：1987-03-04

  Compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein: R1 is C1-6 alkyl; R2 is amino or C1-7 acylamino; R3 is halo or C1-6 alkylthio; R4 and R5 are independently selected from hydrogen, C1-6 alkyl, phenyl or phenyl C1-4 alkyl any of which phenyl moieties may be substituted by one or two of halo, CF3, C1-6 alkoxy or C1-6 alkyl; R6 is C1-7 alkyl, -(CH2)sR7, s being 0 to 2 and R7 being C3-8 cycloalkyl, -(CH2)tRB, t being 1 or 2 and R8 being thienyl or phenyl optionally substituted by one or two substituents selected from C1-4 alkoxy, trifluoromethyl, halogen, nitro, carboxy, esterified carboxy and C1-4 alkyl optionally substituted by hydroxy, C1-4 alkoxy, carboxy, esterified carboxy or in vivo hydrolysable acyloxy; and n is 0 to 3; having gashic motility enhancing activity and anti-emetic activity, a process for their preparation and their use as pharmaceuticals.

  式 (I) 的化合物或其药学上可接受的盐： 其中 R1 是 C1-6 烷基 R2 是氨基或 C1-7 乙酰氨基 R3 是卤代或 C1-6 烷硫基； R4和R5独立选自氢、C1-6烷基、苯基或苯基C1-4烷基，其中任何苯基可被卤素、CF3、C1-6烷氧基或C1-6烷基中的一个或两个取代； R6 是 C1-7 烷基，-(CH2)sR7，s 是 0 至 2，R7 是 C3-8 环烷基，-(CH2)tRB，t 是 1 或 2，R8 是噻吩基或苯基，可任选被一个或两个取代基取代，这些取代基选自 C1-4 烷氧基、三氟甲基、卤素、硝基、羧基、酯化羧基和可任选被羟基、C1-4 烷氧基、羧基、酯化羧基或体内可水解酰氧基取代的 C1-4 烷基；且 n 为 0 至 3；具有增强胃肠蠕动活性和止吐活性，其制备方法及其作为药物的用途。
• PHTHALAZINE DERIVATIVES AND REMEDIES FOR ERECTILE DYSFUNCTION
  申请人：Eisai Co., Ltd.

  公开号：EP1057819A1

  公开（公告）日：2000-12-06

  The present invention provides a phthalazine compound as a therapeutic agent for erectile dysfunction represented by the following formula, a pharmacologically acceptable salt thereof or a hydrate thereof: wherein R1 and R2 are the same as or different from each other and represent a halogen atom, a C1 to C4 alkyl group which may be substituted with a halogen atom, a C1 to C4 alkoxy group which may be substituted with a halogen atom or a cyano group; X represents a cyano group, a nitro group, a halogen atom, a hydroxyimino group which may be substituted or a heteroaryl group which may be substituted; Y represents a heteroaryl group, an aryl group which may be substituted, an alkynyl group which may substituted, an alkenyl group, an alkyl group, an optionally substituted saturated or unsaturated 4- to 8- membered amine ring, and the cyclic amine compound is a monocyclic compound, bicyclic compound or a spiro compound; 1 is an integer of 1 to 3; provided that the case where l is 1 or 2, X is a cyano group, a nitro group or a chlorine atom, R1 is a chlorine atom, R2 is a methoxy group and Y is a 5- or 6-memberred amine ring substituted with a hydroxyl group is excluded.

  本发明提供了一种作为勃起功能障碍治疗剂的酞嗪化合物，由下式、其药理学上可接受的盐或其水合物代表： 其中R1和R2彼此相同或不同，代表卤素原子、可被卤素原子取代的C1至C4烷基、可被卤素原子取代的C1至C4烷氧基或氰基；X代表氰基、硝基、卤素原子、可被取代的羟基亚氨基或可被取代的杂芳基；Y 代表杂芳基、可被取代的芳基、可被取代的炔基、烯基、烷基、任选取代的饱和或不饱和 4 至 8 位氨基环，环胺化合物是单环化合物、双环化合物或螺环化合物；1 是 1 至 3 的整数；但不包括以下情况：l 是 1 或 2，X 是氰基、硝基或氯原子，R1 是氯原子，R2 是甲氧基，Y 是被羟基取代的 5 或 6 位胺环。