(2S)-2-[1-[5-[(3R)-dithiolan-3-yl]pentanoyloxy]ethoxycarbonylamino]-3-methyl-3-sulfanylbutanoic acid | 1333478-55-9

• 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)-2-[1-[5-[(3R)-dithiolan-3-yl]pentanoyloxy]ethoxycarbonylamino]-3-methyl-3-sulfanylbutanoic acid
• CAS: 1333478-55-9
• 化学式: C₁₆H₂₇NO₆S₃
• 分子量: 425.591
• InChiKey: KSQRIFGFEMKHGQ-ZNVNOEFISA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  26
• 可旋转键数：
  12
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.81
• 拓扑面积：
  154
• 氢给体数：
  3
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  D-青霉胺 在 硫酸 、 potassium carbonate 、 N,N-二异丙基乙胺 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 2,3-二巯基-1-丙醇 、 N,N-二甲基甲酰胺 为溶剂， 反应 37.0h， 生成 (2S)-2-[1-[5-[(3R)-dithiolan-3-yl]pentanoyloxy]ethoxycarbonylamino]-3-methyl-3-sulfanylbutanoic acid
  参考文献：
  名称：

  COMPOUND AND COMPOSITION AND THEIR USES THEREOF

  摘要：

  揭示了一种化合物、组合物、合成和使用公式1的方法。公式I的化合物还包括其盐、多型体、溶剂合物和水合物。该化合物可以制成药物组合物。药物组合物可以制成口服、局部、经粘膜、吸入、靶向递送和缓释制剂。这些组合物可用于治疗与铜超载相关的肝脏和遗传疾病。

  公开号：

  US20110218235A1

文献信息

• COMPOUNDS, COMPOSITIONS, FORMULATIONS AND THEIR USES THEREOF
  申请人：Kandula Mahesh

  公开号：US20110218238A1

  公开（公告）日：2011-09-08

  A compound, composition, method of synthesizing and using the compound of formula 1 are disclosed. The compound of formula I also comprises of salts, polymorphs, solvates, and hydrates thereof. The compound may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated for peroral, topical, transmucosal, inhalation, targeted delivery and sustained release formulations. Such compositions may be used to treat hepatic and genetic disorders related to copper overload. Multiple other compounds may be added with the instant claimed compounds and may be delivered as a pharmaceutical dose suitable for treating Wilson's disease.
• [EN] PENICILLAMINE AND ITS DERIVATIVES ARE USED IN THE TREATMENT OF COPPER TOXICITY AND NASH<br/>[FR] PÉNICILLAMINE ET SES DÉRIVÉS POUR LEUR UTILISATION DANS LE TRAITEMENT DE LA TOXICITÉ DU CUIVRE ET DE NASH
  申请人：KRISANI BIOSCIENCES (P) LTD

  公开号：WO2017060914A2

  公开（公告）日：2017-04-13

  Penicillamine and its derivatives, composition, methods of synthesizing and using the compound of formula 1 are disclosed. The compounds of formula 1 also comprises of salts, polymorphs, solvates and hydrates thereof. The compounds may be formulated as pharmaceutical compositions. The pharmaceutical compositions may be formulated as per oral, topical, transmucosal, inhalation, targeted delivery and sustained release formulations. Such compositions can be used for the treatment of hepatic and genetic disorders related to copper toxicity, NASH and Leigh Syndrome.