(2S,3S,4R)-N''-cyano-N-(6-cyano-3,4-dihydro-3-hydroxy-2-methyl-2-dimethoxymethyl-2H-benzopyran-4-yl)-N'-benzylguanidine | 335381-73-2

• 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'-benzylguanidine
• 英文别名: 2-benzyl-1-cyano-3-[(2S,3S,4R)-6-cyano-2-(dimethoxymethyl)-3-hydroxy-2-methyl-3,4-dihydrochromen-4-yl]guanidine
• CAS: 335381-73-2
• 化学式: C₂₃H₂₅N₅O₄
• 分子量: 435.483
• InChiKey: MTZJANBBPOVJCE-QTEQDKRBSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 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)-4-[[(cyanoimino)phenoxymethyl]amino]-3,4-dihydro-3-hydroxy-2-methyl-2-dimethoxymethyl-2H-benzopyran-6-carbonitrile 、 苄胺 以 DMF (N,N-dimethyl-formamide) 为溶剂， 反应 12.0h， 以68%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'-benzylguanidine
  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

• 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.
• BENZOPYRANYL GUANIDINE DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Dongbu Hannong Chemical Co., Ltd.

  公开号：EP1228058B1

  公开（公告）日：2003-12-10