3,3,4,4,5,5,5-Heptadeuteriopentan-2-yl 2-amino-2,3-dideuterio-3-(3,4-dihydroxyphenyl)propanoate

• 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: 3,3,4,4,5,5,5-Heptadeuteriopentan-2-yl 2-amino-2,3-dideuterio-3-(3,4-dihydroxyphenyl)propanoate
• 英文别名: 3,3,4,4,5,5,5-heptadeuteriopentan-2-yl 2-amino-2,3-dideuterio-3-(3,4-dihydroxyphenyl)propanoate
• 化学式: C14H21NO4
• 分子量: 276.38
• InChiKey: SAAUBNOHIRAZTD-LERYYMNNSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  19
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  92.8
• 氢给体数：
  3
• 氢受体数：
  5

文献信息

• POSITION-SPECIFIC ASYMMETRIC DEUTERIUM ENRICHED CATECHOLAMINE DERIVATIVES AND MEDICAMENTS COMPRISING SAID COMPOUNDS
  申请人：imphar Aktiengesellschaft

  公开号：EP2953926A1

  公开（公告）日：2015-12-16
• Position-Specific Asymmetric Deuterium Enriched Catecholamine Derivatives And Medicaments Comprising Said Compounds
  申请人：ratiopharm GmbH

  公开号：US20170119716A1

  公开（公告）日：2017-05-04

  Herein described are deuterated catecholamine derivatives of the general Formula I wherein, R 1 is deuterium, R 2 , and R 3 are independently selected from hydrogen and deuterium and wherein at least one of R 2 and R 3 has a deuterium enrichment in the range from 0.02 mol % to 100 mol % deuterium, and wherein the deuterium enrichment of R 2 and R 3 is different from each other and that the difference between the deuterium enrichment of R 2 and R 3 is at least 5 percentage points, R 4 is hydrogen, deuterium, C 1 to C 6 -alkyl or C 5 to C 6 -cycloalkyl, deuterated C 1 to C 6 -alkyl or C 5 to C 6 -cycloalkyl, or a group that is easily hydrolytically or enzymatically cleavable under physiological conditions, as well as their physiologically acceptable salts and their stereoisomers, enantiomers or diastereomers in optically pure form. The compounds can easily be prepared by mixing deuterated and non-deuterated compounds in a predefined ratio. The compounds show anti-Parkinson effect at lower doses and show lower side effects.
• Combination of Deuterated Levodopa With Carbidopa and Opicapone For The Treatment of Parkinson's Disease
  申请人：Teva Pharmaceuticals International GmbH

  公开号：US20170165381A1

  公开（公告）日：2017-06-15

  The present invention relates to new combinations of treatments for abnormal dopamine deficiency disorders, and related conditions, comprising deuterated catecholamine derivatives and catechol-O-methyltransferase (COMT) inhibitors.
• US9567289B2
  申请人：——

  公开号：US9567289B2

  公开（公告）日：2017-02-14
• US9763904B2
  申请人：——

  公开号：US9763904B2

  公开（公告）日：2017-09-19