(5-dimethylaminomethyl-oxazol-2-yl)-phenyl-methanone | 925418-81-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: (5-dimethylaminomethyl-oxazol-2-yl)-phenyl-methanone
• 英文别名: (5-Dimethylaminomethyloxazol-2-yl)phenylmethanone；[5-[(dimethylamino)methyl]-1,3-oxazol-2-yl]-phenylmethanone
• CAS: 925418-81-1
• 化学式: C₁₃H₁₄N₂O₂
• 分子量: 230.266
• InChiKey: IAPAGJBCPYMJIR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.23
• 拓扑面积：
  46.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  (5-dimethylaminomethyl-oxazol-2-yl)-phenyl-methanone 、 环己氯化镁 在 水 、 氯化铵 作用下， 以 四氢呋喃 、 甲苯 为溶剂， 反应 2.67h， 以60%的产率得到cyclohexyl-(5-dimethylaminomethyl-oxazol-2-yl)-phenyl-methanol
  参考文献：
  名称：

  WO2008/96126

  摘要：

  公开号：
• 作为产物：
  描述：

  (5-bromomethyl-oxazol-2-yl)-phenyl-methanone 、 二甲胺 以 四氢呋喃 为溶剂， 反应 1.0h， 以99%的产率得到(5-dimethylaminomethyl-oxazol-2-yl)-phenyl-methanone
  参考文献：
  名称：

  WO2008/96126

  摘要：

  公开号：

文献信息

• SALT
  申请人：Avitabile Barbara Giuseppina

  公开号：US20100093816A1

  公开（公告）日：2010-04-15

  The invention provides [2-(4-chloro-benzyloxy)-ethyl]-[2-((R)-cyclohexyl-hydroxy-phenyl-methyl)-oxazol-5-yl-methyl]-dimethyl-ammonium napadisylate, pharmaceutical compositions containing it, and its use in therapy.

  该发明提供了[2-(4-氯苯甲氧基)乙基]-[2-((R)-环己基-羟基-苯甲基)-噁唑-5-基甲基]-二甲基铵萘普地塞酸盐，含有该化合物的制药组合物，以及其在治疗中的应用。
• COMBINATION OF A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST
  申请人：Harry Finch

  公开号：US20110046191A1

  公开（公告）日：2011-02-24

  The invention provides a pharmaceutical product, kit or composition comprising a first active ingredient which is a selected muscarinic receptor antagonist selected, and a second active ingredient which is a β 2 -adrenoceptor agonist, of use in the treatment of respiratory diseases such as chronic obstructive pulmonary disease and asthma.

  该发明提供了一种药品、试剂盒或组合物，包括第一活性成分，该成分为选择的肌动蛋白受体拮抗剂，以及第二活性成分，该成分为β2-肾上腺素能受体激动剂，用于治疗慢性阻塞性肺疾病和哮喘等呼吸系统疾病。
• Azole and Thiazole Derivatives and Their Use
  申请人：Ray Nicholas Charles

  公开号：US20100113540A1

  公开（公告）日：2010-05-06

  Compounds of formula (I) are useful in the treatment of diseases where enhanced M3 receptor activation is implicated, such as respiratory tract diseases: wherein (i) R 1 is C 1 -C 6 -alkyl or hydrogen; and R 2 is hydrogen or a group —R 7 , —Z—Y—R 7 , —Z—NR 9 R 10 ; —Z—CO—NR 9 R 10 , —Z—NR 9 — [AE11] C(O)O—R 7 , or —Z—C(O)—R 7 ; and R 3 is a lone pair, or C 1 C 6 -alkyl; or (ii) R 1 and R 3 together with the nitrogen to which they are attached form a heterocycloalkyl ring and R 2 is a lone pair or a group —R 7 , —Z—Y—R 7 , —Z—NR 9 R 10 , —Z—CO—NR 9 R 10 , —Z—NR 9 — [AE12] C(O)O—R 7 ; or; —Z—C(O)—R 7 ; or (iii) R 1 and R 2 together with the nitrogen to which they are attached form a heterocycloalkyl ring, said ring being substituted by a group —Y—R 7 , —Z—Y—R 7 , —Z—NR 9 R 10 ; —Z—CO—NR 9 R 10 ; —Z—NR 9 — [AE13] C(O)O—R 7 ; or; —Z—C(O)—R 7 ; and R 3 is a lone pair, or C 1 -C 6 -alkyl; R 4 and R 5 are independently selected from the group consisting of aryl, ary-tfused-heterocycloalkyl, heteroaryl, C 1 -C 6 -alkyl, cycloalkyl; R 6 is —OH, C 1 -C 6 -alkyl, C 1 -C 6 -alkoxy, hydroxy-C 1 -C 6 -alkyl, nitrile, a group CONR 8 2 or a hydrogen atom; A is an oxygen or a sulfur atom; X is an alkylene, alkenylene or alkynylene group; R 7 is an C 1 -C 6 -alkyl, aryl, aryl-fused-cycloalkyl, aryl-fused-heterocycloalkyl, heteroaryl, aryl(C 1 -C 8 -alkyl)-, heteroaryl(C 1 -C 8 -alkyl)-, cycloalkyl or heterocycloalkyl group; R 8 is C 1 -C 6 -alkyl or a hydrogen atom; Z is a C 1 -C 16 -alkylene, C 2 -C 16 -alkenylene or C 2 -C 16 -alkynylene group; Y is a bond or oxygen atom; R 9 and R 10 are independently a hydrogen atom, C 1 -C 6 -alkyl, aryl, aryl-fused-heterocycloalkyl, aryl-fused-cycloalkyl, heteroaryl, aryl(C 1 -C 6 -alkyl)-, or heteroaryl(C 1 -C 6 -alkyl)- group; or R 9 and R 10 together with the nitrogen atom to which they are attached form a heterocyclic ring of 48 atoms, optionally containing a further nitrogen or oxygen atom.

  式（I）的化合物在治疗呼吸道疾病等需要增强M3受体激活的疾病中有用，其中（i）R1为C1-C6烷基或氢，R2为氢或基团-R7、-Z-Y-R7、-Z-NR9R10、-Z-CO-NR9R10、-Z-NR9-[AE11]C（O）O-R7或-Z-C（O）-R7，R3为孤对电子或C1-C6烷基；或（ii）R1和R3与它们连接的氮一起形成杂环烷基环，R2为孤对电子或基团-R7、-Z-Y-R7、-Z-NR9R10、-Z-CO-NR9R10、-Z-NR9-[AE12]C（O）O-R7或-Z-C（O）-R7；或（iii）R1和R2与它们连接的氮一起形成杂环烷基环，该环被基团-Y-R7、-Z-Y-R7、-Z-NR9R10、-Z-CO-NR9R10、-Z-NR9-[AE13]C（O）O-R7或-Z-C（O）-R7取代，R3为孤对电子或C1-C6烷基；R4和R5独立地选自芳基、芳基融合的杂环烷基、杂芳基、C1-C6烷基、环烷基；R6为-OH、C1-C6烷基、C1-C6-烷氧基、羟基-C1-C6烷基、腈基、基团CONR82或氢原子；A为氧原子或硫原子；X为烷基、烯基或炔基；R7为C1-C6烷基、芳基、芳基融合的环烷基、芳基融合的杂环烷基、杂芳基、芳基（C1-C8烷基）-、杂芳基（C1-C8烷基）-、环烷基或杂环烷基；R8为C1-C6烷基或氢原子；Z为C1-C16烷基、C2-C16烯基或C2-C16炔基；Y为键或氧原子；R9和R10独立地为氢原子、C1-C6烷基、芳基、芳基融合的杂环烷基、芳基融合的环烷基、杂芳基、芳基（C1-C6烷基）-或杂芳基（C1-C6烷基）-基团；或R9和R10与它们连接的氮原子一起形成48个原子的杂环，可选地含有进一步的氮或氧原子。
• AZOLE AND THIAZOLE DERIVATIVES AND THEIR USE
  申请人：Ray Nicholas Charles

  公开号：US20120277275A1

  公开（公告）日：2012-11-01

  Compounds of formula (I) are useful in the treatment of diseases where enhanced M3 receptor activation is implicated, such as respiratory tract diseases:

  式(I)的化合物在治疗呼吸道疾病等需要增强M3受体激活的疾病中很有用。
• PHARMACEUTICAL COMPOSITION FOR INHALATION COMPRISING AN OXAZOLE OR THIAZOLE M3 MUSCARINIC RECEPTOR ANTAGONIST
  申请人：Pulmagen Therapeutics (Synergy) Limited

  公开号：EP2280006A1

  公开（公告）日：2011-02-02

  Pharmaceutical compositions for inhalation comprising compounds of formula (I) are useful in the treatment of diseases where enhanced M3 receptor activation is implicated, such as respiritory tract diseases: wherein (i) R1 is C1-C6-alkyl or hydrogen; and R2 is hydrogen or a group -R7, -Z-Y-R7, -Z-NR9R10; -Z-CO-NR9R10, -Z-NR9-C(O)O-R7, or -Z-C(O)-R7; and R3 is a lone pair, or C1-C6-alkyl; or (ii) R1 and R3 together with the nitrogen to which they are attached form a heterocycloalkyl ring, and R2 is a lone pair or a group -R7, -Z-Y-R7, -Z-NR9R10, -Z-CO-NR9R10, -Z-NR9-C(O)O-R7; or; -Z-C(O)-R7; or (iii) R1 and R2 together with the nitrogen to which they are attached form a heterocycloalkyl ring, said ring being substituted by a group -Y-R7, -Z-Y-R7, -Z-NR9R10; -Z-CO-NR9R10; -Z-NR9-C(O)OR7; or; -Z-C(O)-R7; and R3 is a lone pair, or C1-C6-alkyl; R4 and R5 are independently selected from the group consisting of aryl, aryl-fused-heterocycloalkyl, heteroaryl, C1-C6-alkyl, cycloalkyl; R6 is -OH, C1-C6-alkyl, C1-C6-alkoxy, hydroxy-C1-C6-alkyl, nitrile, a group CONR82 or a hydrogen atom; A is an oxygen or a sulfur atom; X is an alkylene, alkenylene or alkynylene group; R7 is an C1-C6-alkyl, aryl, aryl-fused-cycloalkyl, aryl-fused-heterocycloalkyl, heteroaryl, aryl(C1-C8-alkyl)-, heteroaryl(C1-C8-alkyl)-, cycloalkyl or heterocycloalkyl group; R8 is C1-C6-alkyl or a hydrogen atom; Z is a C1-C16-alkylene, C2-C16-alkenylene or C2-C16-alkynylene group; Y is a bond or oxygen atom; R9 and R10 are independently a hydrogen atom, C1-C6-alkyl, aryl, aryl-fused-heterocycloalkyl, aryl-fused-cycloalkyl, heteroaryl, aryl(C1-C6-alkyl)-, or heteroaryl(C1-C6-alkyl)- group; or R9 and R10 together with the nitrogen atom to which they are attached form a heterocyclic ring of 4-8 atoms, optionally containing a further nitrogen or oxygen atom.

  由式（I）化合物组成的吸入用药物组合物可用于治疗与 M3 受体激活增强有关的疾病，如呼吸道疾病： 其中 (i) R1 是 C1-C6- 烷基或氢；R2 是氢或基团 -R7、-Z-Y-R7、 -Z-CO-NR9R10，-Z-NR9-C(O)O-R7，或-Z-C(O)-R7；R3 是孤对或 C1-C6-烷基；或 (ii) R1 和 R3 与它们所连接的氮一起形成杂环烷基环，R2 是孤对或基团 -R7，-Z-Y-R7，-Z-NR9R10、 -Z-CO-NR9R10、-Z-NR9-C(O)O-R7；或；-Z-C(O)-R7；或 (iii) R1 和 R2 与它们所连接的氮一起形成杂环烷基环，所述环被基团 -Y-R7、-Z-Y-R7、-Z-NR9R10 取代；-Z-CO-NR9R10；-Z-NR9-C(O)OR7；或；-Z-C(O)-R7；R4 和 R5 独立地选自由芳基、芳基-融合-杂环烷基、杂芳基、C1-C6-烷基、环烷基组成的组；R6 是-OH、C1-C6-烷基、C1-C6-烷氧基、羟基-C1-C6-烷基、腈、基团 CONR82 或氢原子；A 是氧原子或硫原子；X 是亚烷基、烯基或炔基；R7 是 C1-C6 烷基、芳基、芳基-融合环烷基、芳基-融合杂环烷基、杂芳基、芳基（C1-C8-烷基）-、杂芳基（C1-C8-烷基）-、环烷基或杂环烷基；R8 是 C1-C6 烷基或氢原子；Z 是 C1-C16 烯基、C2-C16 烯基或 C2-C16 烯炔基；Y 是键或氧原子；R9 和 R10 独立地为氢原子、C1-C6-烷基、芳基、芳基-熔合杂环烷基、芳基-熔合环烷基、杂芳基、芳基（C1-C6-烷基）- 或杂芳基（C1-C6-烷基）- 基团；或 R9 和 R10 与它们所连接的氮原子一起形成一个 4-8 个原子的杂环，可选地含有另一个氮原子或氧原子。