2-(ethyl(methyl)amino)ethane-1-thiol hydrochloride | 1017861-21-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-(ethyl(methyl)amino)ethane-1-thiol hydrochloride
• 英文别名: 2-(methylethylamino)ethanethiol hydrochloride；EMSH；2-[Ethyl(methyl)amino]ethanethiol;hydrochloride
• CAS: 1017861-21-0
• 化学式: C₅H₁₃NS*ClH
• 分子量: 155.692
• InChiKey: GIEBRTXHCLDZCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.29
• 重原子数：
  8
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  4.2
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-(ethyl(methyl)amino)ethane-1-thiol hydrochloride 、 bis[(9Z,12Z)-octadeca-9,12-dienyl] (Z)-but-2-enedioate 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 以8 %的产率得到di((9Z,12Z)-octadeca-9,12-dien-1-yl) 2-((2-(methylethylamino)ethyl)thio)succinate
  参考文献：
  名称：

  WO2024079348A1

  摘要：

  公开号：

文献信息

• [EN] IONIZABLE CATIONIC LIPID FOR RNA DELIVERY<br/>[FR] LIPIDE CATIONIQUE IONISABLE POUR ADMINISTRATION D'ARN
  申请人：ARCTURUS THERAPEUTICS INC

  公开号：WO2015074085A1

  公开（公告）日：2015-05-21

  What is described is a compound of formula (I), wherein R1 and R2 are the same or different, each a linear or branched alkyl with 1-9 carbons, or an alkenyl or alkynyl with 2 to 11 carbon atoms; L1 and L2 are the same or different, each a linear alkyl having 5 to 18 carbon atoms, or form a heterocycle with N; X1 is a bond, or is -CO-O- whereby L2-CO-O-R2 is formed; X2 is S or O; L3 is a bond or a lower alkyl, or form a heterocycle with N; R3 is a lower alkyl; and R4 and R5 are the same or different, each a lower alkyl; or a pharmaceutically acceptable salt thereof.

  所描述的是一种具有化学式（I）的化合物，其中R1和R2相同或不同，各自是具有1-9个碳原子的直链或支链烷基，或具有2-11个碳原子的烯烃或炔烃；L1和L2相同或不同，各自是具有5-18个碳原子的直链烷基，或与N形成杂环；X1是键，或是-CO-O-，从而形成L2-CO-O-R2；X2是S或O；L3是键或低烷基，或与N形成杂环；R3是低烷基；R4和R5相同或不同，各自是低烷基；或其药用可接受的盐。
• IONIZABLE CATIONIC LIPID FOR RNA DELIVERY
  申请人：Arcturus Therapeutics, Inc.

  公开号：US20150141678A1

  公开（公告）日：2015-05-21

  What is described is a compound of formula (1) wherein R 1 and R 2 are the same or different, each a linear or branched alkyl with 1-9 carbons, or an alkenyl or alkynyl with 2 to 11 carbon atoms; L 1 and L 2 are the same or different, each a linear alkyl having 5 to 18 carbon atoms, or form a heterocycle with N; X 1 is a bond, or is —CO—O— whereby L 2 -CO—O—R 2 is formed; X 2 is S or O; L 3 is a bond or a lower alkyl, or form a heterocycle with N; R 3 is a lower alkyl; and R 4 and R 5 are the same or different, each a lower alkyl; or a pharmaceutically acceptable salt thereof.

  所描述的化合物为公式（1）的化合物，其中R1和R2相同或不同，均为具有1-9个碳原子的线性或支链烷基，或具有2到11个碳原子的烯基或炔基；L1和L2相同或不同，均为具有5到18个碳原子的线性烷基，或与N形成杂环；X1为键或为—CO—O—，从而形成L2-CO—O—R2；X2为S或O；L3为键或较低烷基，或与N形成杂环；R3为较低烷基；R4和R5相同或不同，均为较低烷基；或其药学上可接受的盐。
• SYMMETRIC IONIZABLE CATIONIC LIPID FOR RNA DELIVERY
  申请人：Arcturus Therapeutics, Inc.

  公开号：US20150239834A1

  公开（公告）日：2015-08-27

  What are described are compounds of formulas II, III, and IV. The compound of formula II consists of a compound in which R 1 and R 2 are both a linear alkyl consisting of 1 to 12 carbons, an alkenyl or alkynyl consisting of 2 to 12 carbons; L 1 and L 2 both consist of a linear alkylene or alkenylene consisting of 5 to 18 carbons, or forming a heterocycle with N; X is S; L 3 consists of a bond or a linear alkylene consisting of 1 to 6 carbons, or forming a heterocycle with N; R 3 consists of a linear or branched alkylene consisting of 1 to 6 carbons; and R 4 and R 5 are the same or different, each consisting of hydrogen or a linear or branched alkyl consisting of 1 to 6 carbons. The compound of formulas III and IV consists of a compound in which R 1 consists of a branched alkyl with 12 to 20 carbons; R 2 consists of a linear alkyl with 5 to 10 carbons or a branched alkyl with 12 to 20 carbons; L 1 and L 2 each consists of a bond or a linear alkyl having 1 to 3 carbon atoms; X consists of S or O; L 3 consists of a bond or a lower alkyl; R 3 consists of a lower alkyl; and R 4 and R 5 are the same or different, each consisting of a lower alkyl. The compound of formulas II, III and IV may comprise a pharmaceutically acceptable salt thereof.

  所描述的是II、III和IV式化合物。式I的化合物由化合物组成，其中R1和R2都是由1到12个碳组成的直链烷基、由2到12个碳组成的烯基或炔基；L1和L2都由由5到18个碳组成的直链烷基或烯基组成，或与N形成杂环；X为S；L3由键或由1到6个碳组成的直链烷基组成，或与N形成杂环；R3由由1到6个碳组成的直链或支链烷基组成；R4和R5相同或不同，分别由氢或由1到6个碳组成的直链或支链烷基组成。式III和IV的化合物由化合物组成，其中R1由由12到20个碳组成的支链烷基组成；R2由由5到10个碳组成的直链烷基或由12到20个碳组成的支链烷基组成；L1和L2分别由键或由1到3个碳组成的直链烷基组成；X为S或O；L3由键或由低碳的烷基组成；R3由低碳的烷基组成；R4和R5相同或不同，分别由低碳的烷基组成。II、III和IV式化合物可以包括其药学上可接受的盐。
• Ionizable cationic lipid for RNA delivery
  申请人：Arcturus Therapeutics, Inc.

  公开号：US10399937B2

  公开（公告）日：2019-09-03

  What is described herein are cationic lipids that facilitate the intracellular delivery of biologically active molecules, comprising a compound of formula I wherein R1 is a linear alkyl, alkenyl, or alkynyl of 2 to 12 carbons, or a branched alkyl with 7-25 R2 is a branched alkenyl with 7-25 carbons, L1 and L2 are independently a linear alkenylene with 2-18 carbons, X is S or O, L3 is a bond, and R3 R4, and R5 are each a linear or branched alkylene with 1-6 carbons.

  本文所述的阳离子脂质可促进生物活性分子在细胞内的传递，由式 I 的化合物组成 其中 R1 是碳原子数为 2-12 的直链烷基、烯基或炔基，或碳原子数为 7-25 的支链烷基；R2 是碳原子数为 7-25 的支链烯基；L1 和 L2 独立地是碳原子数为 2-18 的直链烯基；X 是 S 或 O；L3 是键；R3、R4 和 R5 分别是碳原子数为 1-6 的直链或支链烯基。
• Method of synthesis of an ionizable cationic lipid
  申请人：Arcturus Therapeutics, Inc.

  公开号：US10781169B2

  公开（公告）日：2020-09-22

  Disclosed herein is a lipid composition comprising a compound having the formula IA, or a pharmaceutically acceptable salt thereof, wherein R3 is a linear or branched alkylene of 1-6 carbons; R4 and R5 are the same or different, each a hydrogen, or a linear or branched alkyl of 1-6 carbons; and L3 is a bond or an alkane of 1-6 carbons.

  本文公开了一种脂质组合物，它包含具有式 IA 的化合物或其药学上可接受的盐、 其中 R3 是 1-6 个碳原子的直链或支链亚烷基 R4 和 R5 相同或不同，各自为氢或 1-6 碳的直链或支链烷基；以及 L3 是键或 1-6 个碳原子的烷烃。