2,4-Dioxa-11,12,17-trithia-7-azaoctadecanoic acid, 14-amino-3-methyl-5,8-dioxo-9-(phenylmethyl)-, ethyl ester, (9S,14S)- | 935481-06-4

• 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: 2,4-Dioxa-11,12,17-trithia-7-azaoctadecanoic acid, 14-amino-3-methyl-5,8-dioxo-9-(phenylmethyl)-, ethyl ester, (9S,14S)-
• 英文别名: 1-ethoxycarbonyloxyethyl 2-[[(2S)-2-[[[(2S)-2-amino-4-methylsulfanylbutyl]disulfanyl]methyl]-3-phenylpropanoyl]amino]acetate
• CAS: 935481-06-4
• 化学式: C₂₂H₃₄N₂O₆S₃
• 分子量: 518.7
• InChiKey: BJCNUZJDFWFVBY-VITQDTLGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  33
• 可旋转键数：
  19
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.59
• 拓扑面积：
  193
• 氢给体数：
  2
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  (6S,11S)-1-(ethoxycarbonyloxy)ethyl 11-benzyl-2,2-dimethyl-6-(2-(methylthio)ethyl)-4,12-dioxo-3-oxa-8,9-dithia-5,13-diazapentadecan-15-oate 生成 2,4-Dioxa-11,12,17-trithia-7-azaoctadecanoic acid, 14-amino-3-methyl-5,8-dioxo-9-(phenylmethyl)-, ethyl ester, (9S,14S)-
  参考文献：
  名称：

  Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors

  摘要：

  本发明涉及一种新型化合物，其化学式为(I)：H2N—CH(R1)—CH2—S—S—CH2—CH(R2)—CONH—R5，其中R1为烃链、苯基或苄基基团，被5或6原子杂环取代的亚甲基基团；R2为苯基或苄基基团、5或6原子芳香杂环、被5或6原子杂环取代的亚甲基基团；R5为CH(R3)—COOR4基团，其中R3为氢、OH或OR基团、饱和烃基团、苯基或苄基基团，OR4为亲水性酯基团，或由氮、硫和氧组成的5或6元杂环，其中至少有两个氮原子，该杂环可被烷基C1-C6、苯基或苄基基团取代。本发明还公开了将该化合物用作药物的用途、包括该化合物的制药组合物、制药可接受的辅料、与至少一种大麻素衍生物结合使用以增强该化合物的镇痛和抗抑郁作用以及/或吗啡或其衍生物的用途。

  公开号：

  US08247608B2

文献信息

• METHOD OF TREATING CONTRAST-INDUCED NEPHROPATHY
  申请人：FOO Shi Yin

  公开号：US20120122844A1

  公开（公告）日：2012-05-17

  The present invention provides the use of a neutral endopeptidase inhibitor, in the manufacture of a medicament for the treatment, amelioration and/or prevention of contrast-induced nephropathy. The invention also relates to the use of a compound of Formula I: wherein R 1 , R 2 , R 3 , R 5 , X, A 3 , B 1 , s and n are defined herein, for the treatment, amelioration and/or prevention of contrast-induced nephropathy. The present invention further provides a combination of pharmacologically active agents for use in the treatment, amelioration and/or prevention of contrast-induced nephropathy.

  本发明提供了中性内切肽酶抑制剂的使用，用于制造用于治疗、改善和/或预防造影剂诱导性肾病的药物。该发明还涉及使用化合物Formula I中的化合物：其中R1、R2、R3、R5、X、A3、B1、s和n在此处定义，用于治疗、改善和/或预防造影剂诱导性肾病。本发明进一步提供了用于治疗、改善和/或预防造影剂诱导性肾病的药理活性剂的组合。
• Industrial process for the preparation of (5S, 10S)-10-benzyl-16-methyl-11, 14, 18-trioxo-15, 17, 19-trioxa-2,7,8-trithia-12-azahenicosan-5-aminium(E)-3-carboxyacrylate salt
  申请人：PHARMALEADS

  公开号：US10399936B2

  公开（公告）日：2019-09-03

  The present invention relates to an industrial process for the preparation of (5S,10S)-10-benzyl-16-methyl-11,14,18-trioxo-15,17,19-trioxa-2,7,8-trithia-12-azahenicosan-5-aminium (E)-3-carboxyacrylate salt of following formula (I): wherein X is fumarate. This process comprises the following successive key steps: a kinetic resolution, formation of disulfide compound, peptide coupling, and anion exchange reaction to obtain the desired product of formula (I).

  本发明涉及一种制备下式(I)的(5S,10S)-10-苄基-16-甲基-11,14,18-三氧代-15,17,19-三氧杂-2,7,8-三硫杂-12-氮杂蒽-5-氨基(E)-3-羧基丙烯酸酯盐的工业工艺：其中 X 为富马酸盐。该工艺包括以下连续的关键步骤：动力学解析、二硫化物的形成、肽偶联和阴离子交换反应，以获得所需的式 (I) 产物。
• J. Med. Chem. 2014, 57, 5748-5763
  作者：

  DOI：——

  日期：——
• INDUSTRIAL PROCESS FOR THE PREPARATION OF (5S,10S)-10-BENZYL-16-METHYL-11,14,18-TRIOXO-15,17,19-TRIOXA-2,7,8-TRITHIA-12-AZAHENICOSAN-5-AMINIUM (E)-3-CARBOXYACRYLATE SALT
  申请人：Pharmaleads

  公开号：EP3362433A1

  公开（公告）日：2018-08-22
• INDUSTRIAL PROCESS FOR THE PREPARATION OF (5S, 10S)-10-BENZYL-16-METHYL-11, 14, 18-TRIOXO-15, 17, 19-TRIOXA-2,7,8-TRITHIA-12-AZAHENICOSAN-5-AMINIUM(E)-3-CARBOXYACRYLATE SALT
  申请人：PHARMALEADS

  公开号：US20180305308A1

  公开（公告）日：2018-10-25

  The present invention relates to an industrial process for the preparation of (5S,10S)-10-benzyl-16-methyl-11,14,18-trioxo-15,17,19-trioxa-2,7,8-trithia-12-azahenicosan-5-aminium (E)-3-carboxyacrylate salt of following formula (I): wherein X is fumarate. This process comprises the following successive key steps: a kinetic resolution, formation of disulfide compound, peptide coupling, and anion exchange reaction to obtain the desired product of formula (I).