3-(Dimethylamino)propyl carbonochloridate | 265996-91-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机碳酸及其衍生物
• 英文名称: 3-(Dimethylamino)propyl carbonochloridate
• CAS: 265996-91-6
• 化学式: C₆H₁₂ClNO₂
• 分子量: 165.62
• InChiKey: IURTZMKFDMHXRF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  29.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(Dimethylamino)propyl carbonochloridate 、 利鲁唑 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 24.0h， 以14%的产率得到(6-trifluoromethoxy-benzothiazol-2-yl)-carbamic acid 3-dimethylamino-propyl ester
  参考文献：
  名称：

  Riluzole prodrugs for melanoma and ALS: Design, synthesis, and in vitro metabolic profiling

  摘要：

  Riluzole (1) is an approved therapeutic for the treatment of ALS and has also demonstrated anti-melanoma activity in metabotropic glutamate GRM1 positive cell lines, a mouse xenograft assay and human clinical trials. Highly variable drug exposure following oral administration among patients, likely due to variable first pass effects from heterogeneous CYP1A2 expression, hinders its clinical use. In an effort to mitigate effects of this clearance pathway and uniformly administer riluzole at efficacious exposure levels, several classes of prodrugs of riluzole were designed, synthesized, and evaluated in multiple in vitro stability assays to predict in vivo drug levels. The optimal prodrug would possess the following profile: stability while transiting the digestive system, stability towards first pass metabolism, and metabolic lability in the plasma releasing riluzole. (S)-O-Benzyl serine derivative 9 was identified as the most promising therapeutically acceptable prodrug. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2012.07.004

文献信息

• Pyridiazinone Derivatives for the Treatment of Tumours
  申请人：Dorsch Dieter

  公开号：US20080293719A1

  公开（公告）日：2008-11-27

  Compounds of the formula (I), in which R 1 , R 2 and R 3 have the meanings indicated in claim 1 , are inhibitors of tyrosine kinases, in particular Met kinase, and can be employed, inter alia, for the treatment of tumours

  式（I）中的化合物，其中R1、R2和R3具有权利要求1中指示的含义，是酪氨酸激酶的抑制剂，特别是Met激酶，并可用于治疗肿瘤。
• Lipids for Therapeutic Agent Delivery Formulations
  申请人：Nitto Denko Corporation

  公开号：US20160074514A1

  公开（公告）日：2016-03-17

  The description is directed to ionizable lipids useful for enhancing the delivery of therapeutic agents in liposomes.

  本文描述了可离子化脂质，用于增强脂质体中治疗剂的传递。
• Lipids for therapeutic agent delivery formulations
  申请人：Nitto Denko Corporation

  公开号：US10441659B2

  公开（公告）日：2019-10-15

  The description is directed to ionizable lipids useful for enhancing the delivery of therapeutic agents in liposomes.

  本说明涉及可离子化的脂质，可用于增强脂质体中治疗剂的输送。
• PYRIDIAZINONDERIVATE ZUR BEHANDLUNG VON TUMOREN
  申请人：Merck Patent GmbH

  公开号：EP1960370B1

  公开（公告）日：2011-10-05
• LIPIDS FOR THERAPEUTIC AGENT DELIVERY FORMULATIONS
  申请人：Nitto Denko Corporation

  公开号：EP3489220B9

  公开（公告）日：2021-11-10