ethyl 2-azido-3-(5-benzyl-furan-2-yl)-acrylate | 1000402-26-5

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: ethyl 2-azido-3-(5-benzyl-furan-2-yl)-acrylate
• 英文别名: ethyl (Z)-2-azido-3-(5-benzylfuran-2-yl)prop-2-enoate
• CAS: 1000402-26-5
• 化学式: C₁₆H₁₅N₃O₃
• 分子量: 297.313
• InChiKey: VDRZDKAEMRQURL-PTNGSMBKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  53.8
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• FLUORO-SUBSTITUTED INHIBITORS OF D-AMINO ACID OXIDASE
  申请人：Heffernan L. R. Michele

  公开号：US20080004327A1

  公开（公告）日：2008-01-03

  This invention provides novel inhibitors of the enzyme D-amino acid oxidase as well as pharmaceutical compositions including the compounds of the invention. The invention also provides methods for the treatment and prevention of neurological disorders, such as neuropsychiatric and neurodegenerative diseases, as well as pain, ataxia and convulsion. The compounds of the invention have the general structure: wherein A is NH or S. Q is a member selected from CR 1 and N. X and Y are members independently selected from O, S, CR 2 , N and NH. R 1 , R 2 and R 4 are members independently selected from H and F, provided that at least one member selected from R 1 , R 2 and R 4 is F. R 6 is a member selected from O − X + and OH, wherein X + is a positive ion, which is a member selected from inorganic positive ions and organic positive ions.

  这项发明提供了D-氨基酸氧化酶的新型抑制剂，以及包括该发明中化合物的药物组合物。该发明还提供了用于治疗和预防神经系统疾病，如神经精神病和神经退行性疾病，以及疼痛、共济失调和抽搐的方法。该发明中的化合物具有一般结构：其中A为NH或S。Q是从CR1和N中选择的成员。X和Y分别是从O、S、CR2、N和NH中独立选择的成员。R1、R2和R4是从H和F中独立选择的成员，前提是至少选择R1、R2和R4中的一个成员为F。R6是从O−X+和OH中选择的成员，其中X+是正离子，从无机正离子和有机正离子中选择的成员。
• Fused heterocyclic inhibitors of D-amino acid oxidase
  申请人：Heffernan L. R. Michele

  公开号：US20080058395A1

  公开（公告）日：2008-03-06

  This invention provides novel inhibitors of the enzyme D-amino acid oxidase as well as pharmaceutical compositions including the compounds of the invention. Also provided are methods for the treatment and prevention of neurological disorders, such as neuropsychiatric and neurodegenerative diseases, as well as pain, ataxia and convulsion. The compounds of the invention have the general structure: wherein Q is a member selected from O, S, CR 1 and N, X and Y are members independently selected from CR 2 , O, S, N and NR 3 .

  本发明提供了D-氨基酸氧化酶的新型抑制剂，以及包括该发明化合物的制药组合物。同时，还提供了治疗和预防神经系统疾病，如神经精神疾病和神经退行性疾病，以及疼痛、共济失调和惊厥的方法。该发明化合物具有以下一般结构：其中Q是从O、S、CR1和N中选择的成员，X和Y是独立选择自CR2、O、S、N和NR3的成员。
• FUSED HETEROCYCLES
  申请人：Dorsey James M.

  公开号：US20100029741A1

  公开（公告）日：2010-02-04

  This invention provides methods of improving cognitive function by administering to a subject a therapeutically effective amount of a fused heterocycle having the formula: in which R 1 is a member selected from the group consisting of H, substituted or unsubstituted arylalkyl and substituted or unsubstituted heteroarylalkyl. R 2 is a member selected from the group consisting of H substituted or unsubstituted alkenyl, substituted or unsubstituted arylalkyl and substituted or unsubstituted heteroarylalkyl. R 3 is a member selected from the group consisting of H, C 1 -C 6 substituted or unsubstituted alkyl, substituted or unsubstituted arylalkyl and substituted or unsubstituted heteroarylalkyl. R 4 is a member selected from OH and O − X + , in which X + is positive ion which is a member selected from organic positive ions and inorganic positive ions. Substituted or unsubstituted arylalkyl and substituted or unsubstituted heteroarylalkyl moieties have the formula: in which Ar is a member selected from the group consisting of substituted or unsubstituted aryl and substituted or unsubstituted heteroaryl. The index n is an integer from 1 to 4.

  本发明提供了通过向受试者给予具有以下公式的融合杂环的治疗有效量来提高认知功能的方法：其中R1是从H、取代或未取代的芳基烷基和取代或未取代的杂芳基烷基组成的群体中选择的成员。R2是从H、取代或未取代的烯基、取代或未取代的芳基烷基和取代或未取代的杂芳基烷基组成的群体中选择的成员。R3是从H、C1-C6取代或未取代的烷基、取代或未取代的芳基烷基和取代或未取代的杂芳基烷基组成的群体中选择的成员。R4是从OH和O-X+中选择的成员，其中X+是有机阳离子和无机阳离子中选择的成员中的正离子。取代或未取代的芳基烷基和取代或未取代的杂芳基烷基基团具有以下公式：其中Ar是从取代或未取代的芳基和取代或未取代的杂芳中选择的成员。指数n是1到4的整数。
• FUSED HETEROCYCLIC INHIBITORS OF D-AMINO ACID OXIDASE
  申请人：Sepracor Inc.

  公开号：EP2057162A2

  公开（公告）日：2009-05-13
• US7579370B2
  申请人：——

  公开号：US7579370B2

  公开（公告）日：2009-08-25