(2S,3S,4R)-N"-cyano-N-(6-cyano-3,4-dihydro-3-hydroxy-2-methyl-2-dimethoxymethyl-2H-benzopyran-4-yl)-N'-(4-chlorophenyl)guanidine | 335381-71-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡喃
• 英文名称: (2S,3S,4R)-N"-cyano-N-(6-cyano-3,4-dihydro-3-hydroxy-2-methyl-2-dimethoxymethyl-2H-benzopyran-4-yl)-N'-(4-chlorophenyl)guanidine
• 英文别名: 1-(4-chlorophenyl)-3-cyano-2-[(2S,3S,4R)-6-cyano-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]guanidine
• CAS: 335381-71-0
• 化学式: C₂₂H₂₂ClN₅O₄
• 分子量: 455.901
• InChiKey: FXOXPJCAPKPJNM-DXIQSLLYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  132
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  (2S,3S,4R)-6-cyano-2-methyl-2-dimethoxymethyl-3-hydroxy-4-amino-3,4-dihydro-2H-1-benzopyran 在 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 6.0h， 以43%的产率得到(2S,3S,4R)-N"-cyano-N-(6-cyano-3,4-dihydro-3-hydroxy-2-methyl-2-dimethoxymethyl-2H-benzopyran-4-yl)-N'-(4-chlorophenyl)guanidine
  参考文献：
  名称：

  BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM

  摘要：

  公开号：

  EP1228058B1

文献信息

• Benzopyranyl guanidine derivatives, process for preparation thereof, and pharmaceutical compositions containing them
  申请人：Dongbu Hannong Chemical Co., Ltd.

  公开号：US06323238B1

  公开（公告）日：2001-11-27

  The present invention relates to novel benzopyranyl guanidine derivatives of the formula 1, process for preparation therof and pharmaceutical use of the benzopyranyl guanidine derivatives. The benzopyranyl guanidine derivatives of the present invention can be used for protecting heart, neuronal cell or brain damage, preserving organs, and also the benzopyranyl guanidine derivatives are pharmacologically useful for inhibiting NO generation, and for suppressing lipid peroxidation, angiogenesis or restenosis. Wherein R1, R2, R3, R4, R5, R6, n and * are each defined in specification.

  本发明涉及一种新型苯并吡啶基胍衍生物，其化学式为1，以及其制备方法和药物用途。本发明的苯并吡啶基胍衍生物可用于保护心脏、神经细胞或大脑损伤，保护器官，并且该苯并吡啶基胍衍生物在药理学上有用于抑制NO生成、抑制脂质过氧化、抑制血管新生或再狭窄的作用。其中R1、R2、R3、R4、R5、R6、n和*在规范中各自定义。
• Topical Formulations Comprising Ion Channel Modulators
  申请人：Blum Steven

  公开号：US20110020453A1

  公开（公告）日：2011-01-27

  Disclosed herein are pharmaceutical formulations comprising particles of formula 1: wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , n and * are each defined in specification. Also disclosed are methods of decreasing intraocular pressure comprising topically applying a benzopyranyl guanidine derivative of formula 1 to an eye.
• TOPICAL OPHTHALMIC PHARMACEUTICAL FORMULATION OF (2S,3S,4R)-N''-CYANO-N-(6-AMINO-3,4-DIHYDRO-3-HYDROXY-2-METHYL-2-DIMETHOXYMETHYL-2H-BENZOPYRAN-4-YL)-N'-BENZYLGUANIDINE
  申请人：Blum Steven

  公开号：US20110070310A1

  公开（公告）日：2011-03-24

  A topical ophthalmic pharmaceutical formulation may include particles of the compound (2S,3S,4R)—N″-cyano-N-(6-amino-3,4-dihydro-3-hydroxy-2-methyl-2-dimethoxymethyl-2H-benzopyran-4-yl)-N′-benzylguanidine suspended in a solution comprising monobasic sodium phosphate monohydrate, disodium phosphate heptahydrate, edetate disodium, benzalkonium chloride, sodium chloride, polysorbate 80, and water. A method of treating glaucoma may include topically applying to the eye of a patient in need thereof a therapeutically effective amount of this formulation.
• US6323238B1
  申请人：——

  公开号：US6323238B1

  公开（公告）日：2001-11-27
• [EN] TOPICAL FORMULATIONS COMPRISING ION CHANNEL MODULATORS<br/>[FR] FORMULATIONS TOPIQUES COMPRENANT DES MODULATEURS DE CANAUX IONIQUES
  申请人：MESH THERAPEUTICS LLC

  公开号：WO2010091362A2

  公开（公告）日：2010-08-12

  Disclosed herein are pharmaceutical formulations comprising particles of formula (1) : wherein R1, R2, R3, R4, R5, R6, n and * are each defined in specification. Also disclosed are methods of decreasing intraocular pressure comprising topically applying a benzopyranyl guanidine derivative of formula 1 to an eye.