(S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide hydrate | 608127-91-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (S)-2-{1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl}-2,2-diphenylacetamide hydrate
• 英文别名: darifenacin hydrate；2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide;hydrate
• CAS: 608127-91-9
• 化学式: C₂₈H₃₀N₂O₂*H₂O
• 分子量: 444.574
• InChiKey: CPJBWHCZJJYOIC-VQIWEWKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.13
• 重原子数：
  33
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  56.6
• 氢给体数：
  2
• 氢受体数：
  4

文献信息

• Stable hydrate of a muscarinic receptor antagonist
  申请人：Pfizer Inc.

  公开号：US20030191176A1

  公开（公告）日：2003-10-09

  A stable solid hydrate of a muscarinic receptor antagonist is useful in the treatment of irritable bowel syndrome, diverticular disease, oesophageal achalasia, chronic obstructive airways disease, over active bladder (including symptoms of incontinence, urge and frequency), urinary incontinence, neurogenic urinary urgency or pollakiuria, treatment of bladder functional disorder, urinary leakage, painful or difficult urination caused by neurogenic bladder, spastic or hypertonic bladder, dysfunctional bladder syndrome, gastrointestinal disorders including gastrointestinal hyperactivity, and relaxing effect on intestinal smooth muscle cells.

  一种稳定的固体水合物甲胆碱受体拮抗剂在治疗肠易激综合症、结肠憩室病、食管失弛缓症、慢性阻塞性气道疾病、过度活跃膀胱（包括尿失禁、尿急和频繁排尿症状）、尿失禁、神经源性尿急或排尿频繁、膀胱功能紊乱的治疗、尿液泄漏、神经源性膀胱引起的疼痛或排尿困难、痉挛性或肌张力性膀胱、功能性膀胱综合征、包括胃肠道活动亢进在内的胃肠道疾病以及对肠道平滑肌细胞的放松作用中是有用的。
• [EN] A METHOD FOR THE PREPARATION OF DARIFENACIN HYDROGEN BROMIDE<br/>[FR] PROCÉDÉ DE PRÉPARATION DE DARIFÉNACINE BROMHYDRIQUE
  申请人：ZENTIVA KS

  公开号：WO2009094957A1

  公开（公告）日：2009-08-06

  A method of preparing (3S)-l-[2-(2,3-dihydro-5-benzofuranyl)ethyl}-α,α-diphenyl-3- pyrrolidine acetamide hydrogen bromide, wherein 3-(S)-(I -carbamoyl- 1,1- diphenylmethyl)pyrrolidine or its salt with an organic acid is alkylated in the presence of an inorganic base with 5-(2-bromoethyl)-2,3-dihydrobenzofurane in a heterogeneous system of the solvents water and an organic solvent selected from C6 to C9 aliphatic, alicyclic or aromatic hydrocarbons, after separation of the two phases the crude darifenacin base is isolated, which is converted to the hydrobromide by addition of a C3 to C9 ketone or C3 to C9 alcohol and concentrated hydrobromic acid.

  一种制备(3S)-l-[2-(2,3-二氢-5-苯并呋喃基)乙基]-α，α-二苯基-3-吡咯烷乙酰胺溴化氢的方法，其中3-(S)-[(I-氨基甲酰)-1,1-二苯甲基]吡咯烷或其与有机酸的盐在无机碱存在下与5-(2-溴乙基)-2,3-二氢苯并呋喃在水和C6到C9脂肪，脂环或芳香族烃类有机溶剂的异相体系中进行烷基化反应，分离两相后得到粗的达瑞那新碱基，再加入C3到C9的酮或C3到C9的醇和浓盐酸转化为溴化氢盐。
• Amorphous Form Of Darifenacin Hydrobromide And Processes For The Preparation Thereof
  申请人：Benito Velez Monica

  公开号：US20090018346A1

  公开（公告）日：2009-01-15

  The present invention relates to amorphous form darifenacin hydrobromide and processes therefor. In addition, the present invention relates to compositions comprising amorphous form darifenacin hydrobromide.

  本发明涉及非晶态达瑞那新盐酸盐及其制备方法。此外，本发明涉及包含非晶态达瑞那新盐酸盐的组合物。
• [EN] STABLE HYDRATE OF A MUSCARINIC RECEPTOR ANTAGONIST<br/>[FR] HYDRATE STABLE D'ANTAGONISTE DE RECEPTEUR MUSCARINIQUE
  申请人：NOVARTIS INT PHARM LTD

  公开号：WO2003080599A1

  公开（公告）日：2003-10-02

  A stable solid hydrate of a muscarinic receptor antagonist in useful in the treatment of irritable bowel syndrome, diverticular disease, oesophageal achalasia, chronic obstructive airways disease, over active bladder (including symptoms of incontinence, urge and frequency), urinary incontinence, neurogenic urinary urgency or pollakiuria, treatment of bladder functional disorder, urinary leakage, painful or difficult urination caused by neurogenic bladder, spastic or hypertonic bladder, dysfunctional bladder syndrome, gastrointestinal disorders including gastrointestinal hyperactivity, and relaxing effect on intestinal smooth muscle cells.

  一种稳定的肌动蛋白受体拮抗剂的固态水合物在治疗肠易激综合征、憩室病、食管失弛缓症、慢性阻塞性呼吸道疾病、过度活跃的膀胱（包括尿失禁、尿急和频率症状）、尿失禁、神经源性尿急或尿频、膀胱功能障碍的治疗、尿泄漏、神经源性膀胱引起的疼痛或排尿困难、痉挛或高张性膀胱、功能性膀胱综合征、胃肠道疾病（包括胃肠道过度活跃）以及对肠平滑肌细胞的松弛作用方面有用。
• METHOD FOR THE PREPARATION OF DARIFENACIN HYDROGEN BROMIDE
  申请人：Hejtmankova Ludmila

  公开号：US20100317871A1

  公开（公告）日：2010-12-16

  A method of preparing (3S)-1-[2-(2,3-dihydro-5-benzofuranyl)ethyl}-α,α-diphenyl-3-pyrrolidine acetamide hydrogen bromide, wherein 3-(S)-(I-carbamoyl-1,1-diphenylmethyl)pyrrolidine or its salt with an organic acid is alkylated in the presence of an inorganic base with 5-(2-bromoethyl)-2,3-dihydrobenzofurane in a heterogeneous system of the solvents water and an organic solvent selected from C6 to C9 aliphatic, alicyclic or aromatic hydrocarbons, after separation of the two phases the crude darifenacin base is isolated, which is converted to the hydrobromide by addition of a C3 to C9 ketone or C3 to C9 alcohol and concentrated hydrobromic acid.

  一种制备(3S)-1-[2-(2,3-二氢-5-苯并呋喃基)乙基]-α,α-二苯基-3-吡咯烷乙酰胺氢溴酸盐的方法，其中3-(S)-(I-氨甲酰-1,1-二苯基甲基)吡咯烷或其与有机酸的盐在无机碱存在下与5-(2-溴乙基)-2,3-二氢苯并呋喃在溶剂水和从C6到C9的脂肪族、螺环烷或芳香族烃中选择的有机溶剂的异相体系中发生烷基化反应，分离两相后得到粗的达瑞那星碱，通过加入C3到C9的酮或C3到C9的醇和浓盐酸转化为氢溴酸盐。