(2S,4R)-1-[5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-2-pyrrolidinecarboxamide

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (2S,4R)-1-[5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-2-pyrrolidinecarboxamide
• 英文别名: (2S,4R)-1-[5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-methoxyphenyl)-2-oxoindol-3-yl]-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
• 化学式: C₃₀H₃₂ClN₃O₈S
• 分子量: 630.1
• InChiKey: NJXZWIIMWNEOGJ-SKOIZEAASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  43
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  134
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为反应物：
  描述：

  (2S,4R)-1-[5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-2-pyrrolidinecarboxamide 、 、 乙酸酐 在 4-二甲氨基吡啶 乙酸乙酯 、 氯化铵 、 碳酸氢钠 、 乙醚 作用下， 以 乙醇 为溶剂， 反应 2.5h， 以to obtain 30.28 g of the expected product, M.p.=194-195° C.的产率得到(3R,5S)-1-[(3R)-5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxyphenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-5-[(dimethylamino)carbonyl]-3-pyrrolidinyl acetate
  参考文献：
  名称：

  Acyloxypyrrolidine derivatives, preparation thereof and application thereof in therapeutic

  摘要：

  本发明涉及一般式（I）的酰氧吡咯烷衍生物：其中：R1代表氢原子，（C1-C6）烷基，（C3-C6）环烷基，基团-CH2CH2COOH或基团-NR2R3; R2和R3各自独立地代表氢原子或（C1-C6）烷基。还揭示和声明了本发明化合物的制备方法及其在治疗中的应用。

  公开号：

  US20050192335A1

文献信息

• [EN] NOVEL COMPOUNDS AND COMPOSITIONS THEREOF FOR TREATING NERVOUS SYSTEM DISORDERS<br/>[FR] NOUVEAUX COMPOSÉS ET COMPOSITIONS À BASE DE CEUX-CI POUR TRAITER DES TROUBLES DU SYSTÈME NERVEUX
  申请人：BRAINCELLS INC

  公开号：WO2013062680A1

  公开（公告）日：2013-05-02

  The present invention relates to a novel compound, methods of synthesizing the compound, compositions containing the compound, and methods for using the compound or composition to treat and/or prevent diseases and/or conditions of the central and peripheral nervous system.

  本发明涉及一种新化合物，合成该化合物的方法，含有该化合物的组合物，以及利用该化合物或组合物治疗和/或预防中枢和外周神经系统疾病和/或症状的方法。
• Novel 1,3-dihydro-2H-indol-2one derivatives, process for preparing them and pharmaceutical compositions containing them
  申请人：——

  公开号：US20040209938A1

  公开（公告）日：2004-10-21

  The invention relates to compounds of formula: 1 as well as the possible salts thereof with mineral or organic acids, and the solvates and/or hydrates thereof, which have affinity for and selectivity towards the V 1b receptors or towards both the V 1b and V 1a receptors of arginine-vasopressin. The invention also relates to the process for preparing them, to the intermediate compounds of formula (II) that are useful for preparing them, to pharmaceutical compositions containing them and to their use for the preparation of medicinal products.

  本发明涉及以下式子的化合物1，以及可能的与矿物质或有机酸形成的盐，以及溶剂化合物和/或水合物，这些化合物对精氨酸加压素的V1b受体或V1b和V1a受体都具有亲和力和选择性。本发明还涉及制备它们的方法，有用于制备它们的式子(II)的中间体化合物，含有它们的制药组合物以及它们用于制备药物的用途。
• Novel 1,3-dihydro-2h-indol-2-one derivatives and their use as ligands for v1b and v1a arginine-vasopressin receptors
  申请人：——

  公开号：US20030114683A1

  公开（公告）日：2003-06-19

  The invention relates to compounds of formula: 1 as well as the possible salts thereof with mineral or organic acids, and the solvates and/or hydrates thereof, which have affinity for and selectivity towards the V 1b receptors or towards both the V 1b and V 1a receptors of arginine-vasopressin. The invention also relates to the process for preparing them, to the intermediate compounds of formula (II) that are useful for preparing them, to pharmaceutical compositions containing them and to their use for the preparation of medicinal products.

  本发明涉及以下化合物的公式：1，以及可能的与矿物质或有机酸盐和其溶剂和/或水合物，这些化合物具有亲和力和选择性，可以作用于精氨酸加压素的V1b受体或V1b和V1a受体。本发明还涉及制备它们的过程，有用于制备它们的公式（II）的中间化合物，包含它们的制药组合物以及它们用于制备药物的用途。
• NOVEL 1,3-DIHYDRO-2H-INDOL-2-ONE DERIVATIVES, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：Roux Richard

  公开号：US20070004703A1

  公开（公告）日：2007-01-04

  The invention relates to compounds of formula: as well as the possible salts thereof with mineral or organic acids, and the solvates and/or hydrates thereof, which have affinity for and selectivity towards the V 1b receptors or towards both the V 1b and V 1a receptors of arginine-vasopressin. The invention also relates to the process for preparing them, to the intermediate compounds of formula (II) that are useful for preparing them, to pharmaceutical compositions containing them and to their use for the preparation of medicinal products.

  本发明涉及式的化合物：以及其可能的与矿物酸或有机酸形成的盐，以及其溶剂化合物和/或水合物，其具有亲和力和选择性，能够作用于精氨酸加压素的V1b受体或V1a和V1b受体。本发明还涉及用于制备它们的过程，有用于制备它们的式（II）的中间体化合物，含有它们的制药组合物以及它们用于制备药物的用途。
• NEUROGENESIS BY MUSCARINIC RECEPTOR MODULATION
  申请人：Barlow Carrolee

  公开号：US20070049576A1

  公开（公告）日：2007-03-01

  The instant disclosure describes methods for treating diseases and conditions of the central and peripheral nervous system by stimulating or increasing neurogenesis. The disclosure includes compositions and methods based on muscarinic receptor modulation, such as via inhibition of acetylcholine esterase (AChE) activity, alone or in combination with another neurogenic agent to stimulate or activate the formation of new nerve cells.

  该即时披露描述了通过刺激或增加神经发生来治疗中枢神经系统和外周神经系统的疾病和病症的方法。该披露包括基于毒蕈碱受体调节的组合物和方法，例如通过抑制乙酰胆碱酯酶（AChE）活性，单独或与另一种神经生成剂结合以刺激或激活新神经细胞的形成。