硫代吗啉-3,4-二羧酸-4-叔丁酯-3-甲酯 | 343616-34-2

• 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
• 中文名称: 硫代吗啉-3,4-二羧酸-4-叔丁酯-3-甲酯
• 中文别名: N-Boc-硫代吗啉-3-羧酸甲酯
• 英文名称: 4-(1,1-dimethylethyl) 3-methyl 3,4-thiomorpholinedicarboxylate
• 英文别名: Thiomorpholine-3,4-dicarboxylic acid 4-tert-butyl ester 3-methyl ester；4-Tert-butyl 3-methyl thiomorpholine-3,4-dicarboxylate；4-O-tert-butyl 3-O-methyl thiomorpholine-3,4-dicarboxylate
• CAS: 343616-34-2
• 化学式: C₁₁H₁₉NO₄S
• mdl: MFCD24470305
• 分子量: 261.342
• InChiKey: WATXLILDVUDIBE-UHFFFAOYSA-N

物化性质

• 沸点：
  346.1±42.0 °C(Predicted)
• 密度：
  1.178±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.818
• 拓扑面积：
  81.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  硫代吗啉-3,4-二羧酸-4-叔丁酯-3-甲酯 在 间氯过氧苯甲酸 作用下， 以 二氯甲烷 为溶剂， 生成 N-Boc-硫代吗啉-3-羧酸甲酯1,1-二氧化物
  参考文献：
  名称：

  [EN] NOVEL DPP1 INHIBITORS AND USES THEREOF
  [FR] NOUVEAUX INHIBITEURS DE DPP1 ET LEURS UTILISATIONS

  摘要：

  Provided herein are novel DPP1 inhibitor compounds having the general structure of Formula (I), (II) or (III), or a pharmaceutically acceptable salt thereof. Also provided are certain methods of treatment, e.g., a method for treating an obstructive disease of the airway or a method of treating an inflammatory condition with a composition comprising an effective amount of one of the compounds provided herein.

  公开号：

  WO2024026433A2
• 作为产物：
  描述：

  二碳酸二叔丁酯 、 terahydro-1,4-thiazine carboxylic acid methyl ester 以 1,4-二氧六环 为溶剂， 生成 硫代吗啉-3,4-二羧酸-4-叔丁酯-3-甲酯
  参考文献：
  名称：

  [EN] NOVEL DPP1 INHIBITORS AND USES THEREOF
  [FR] NOUVEAUX INHIBITEURS DE DPP1 ET LEURS UTILISATIONS

  摘要：

  Provided herein are novel DPP1 inhibitor compounds having the general structure of Formula (I), (II) or (III), or a pharmaceutically acceptable salt thereof. Also provided are certain methods of treatment, e.g., a method for treating an obstructive disease of the airway or a method of treating an inflammatory condition with a composition comprising an effective amount of one of the compounds provided herein.

  公开号：

  WO2024026433A2

文献信息

• Compounds, compositions, and methods for stimulating neuronal growth and elongation
  申请人：——

  公开号：US20020061881A1

  公开（公告）日：2002-05-23

  The present invention concerns methods, pharmaceutical compounds, and compositions for stimulating neuroite outgrowth in nerve cells leading to nerve regeneration. These methods, compounds and compositions inhibit rotamase enzyme activity associated with binding proteins.

  本发明涉及用于刺激神经元细胞中神经元生长的方法、药物化合物和组合物，从而导致神经再生。这些方法、化合物和组合物抑制了与结合蛋白相关的旋转酶酶活性。
• Pyridine Derivatives and Their Use in the Treatment of Psychotic Disorders
  申请人：Alvaro Giuseppe

  公开号：US20080269208A1

  公开（公告）日：2008-10-30

  There are provided according to the invention novel compounds of formula (I) or a pharmaceutically acceptable salt or solvate thereof: wherein all variables are defined herein. Also provided are pharmaceutical compositions containing the same and methods for their use in therapy.

  根据本发明提供了一种新的化合物，其化学式为(I)或其药学上可接受的盐或溶剂：其中所有变量均在此定义。还提供了包含该化合物的制药组合物以及在治疗中使用它们的方法。
• Pyridine Derivatives And Their Use In The Treatment Of Psychotic Disorders
  申请人：Alvaro Giuseppe

  公开号：US20110190276A1

  公开（公告）日：2011-08-04

  A method of treatment of anxiety disorders which comprises administering to a host in need thereof an effective amount of a compound of formula (I):

  一种治疗焦虑症的方法，包括向需要治疗的宿主施用公式（I）化合物的有效量。
• Pyridine Derivatives and Their Use in The Treatment of Psychotic Disorders
  申请人：Alvaro Giuseppe

  公开号：US20100152175A1

  公开（公告）日：2010-06-17

  There are provided according to the invention novel compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein: X represents a nitrogen atom; Y represents —C(H 2 )—, (—C(H 2 )—) 2 , —S(O 2 )— or —C(═O)—; Z represents —C(H 2 )—, —S(O 2 )—, —N(R z )—, or an oxygen or sulphur atom; A represents hydrogen or —CH 2 OH; R z represents hydrogen, C 1-6 alkyl, C 1-6 alkoxy, —COR 7 or —SO 2 R 7 ; R 1 represents halogen, C 1-6 alkyl, C 1-6 alkoxy, ═O, haloC 1-6 alkyl, haloC 1-6 alkoxy, hydroxyl or —CH 2 OH; m represents an integer from 0 to 3; R 2 represents halogen, ═O, C 1-6 alkyl (optionally substituted by one or more hydroxyl groups), —COOR 7 , —CONR 7 R 8 , C 1-6 alkoxy, haloC 1-6 alkyl, haloC 1-6 alkoxy or C 1-6 alkylOC 1-6 alkyl; n represents an integer from 0 to 3; p and q independently represent an integer from 0 to 2; R 3 represents an -aryl, -heteroaryl, -heterocyclyl, -aryl-aryl, -aryl-heteroaryl, -aryl-heterocyclyl, -heteroaryl-aryl, -heteroaryl-heteroaryl, -heteroaryl-heterocyclyl, -heterocyclyl-aryl, -heterocyclyl-heteroaryl or -heterocyclyl-heterocyclyl group, all of which may be optionally substituted by one or more (e.g. 1, 2 or 3) halogen, C 1-6 alkyl (optionally substituted by one or more hydroxyl groups), C 3-8 cycloalkyl, C 1-6 alkoxy, hydroxyl, haloC 1-6 alkyl, haloC 1-6 alkoxy, cyano, —S—C 1-6 alkyl, —SO—C 1-6 alkyl, —SO 2 —C 1-6 alkyl, —COR 7 , —CONR 7 R 8 , —NR 7 R 8 , —NR 7 COC 1-6 alkyl, —NR 7 SO 2 —C 1-6 alkyl, C 1-6 alkyl-NR 7 R 8 , —OCONR 7 R 8 , —NR 7 CO 2 R 8 or —SO 2 NR 7 R 8 groups; R 4 and R 5 independently represent C 1-6 alkyl, or R 4 and R 5 together with the carbon atom to which they are attached may together form a C 3-8 cycloalkyl group; R 6 represents halogen, C 1-6 alkyl, C 3-8 cycloalkyl, C 1-6 alkoxy, haloC 1-6 alkyl or haloC 1-6 alkoxy; s represents an integer from 0 to 4; R 7 and R 8 independently represent hydrogen, C 1-6 alkyl or C 3-8 cycloalkyl; or solvates thereof.

  根据本发明提供了式(I)的新化合物或其药学上可接受的盐： 其中， X代表氮原子； Y代表—C(H2)—、(—C(H2)—)2、—S(O2)—或—C(═O)—； Z代表—C(H2)—、—S(O2)—、—N(Rz)—或氧或硫原子； A代表氢或—CH2OH； Rz代表氢、C1-6烷基、C1-6烷氧基、—COR7或—SO2R7； R1代表卤素、C1-6烷基、C1-6烷氧基、═O、haloC1-6烷基、haloC1-6烷氧基、羟基或—CH2OH； m表示从0到3的整数； R2代表卤素、═O、C1-6烷基（可选地被一个或多个羟基取代）、—COOR7、—CONR7R8、C1-6烷氧基、haloC1-6烷基、haloC1-6烷氧基或C1-6烷氧基C1-6烷基； n表示从0到3的整数； p和q独立地表示从0到2的整数； R3代表-芳基、-杂环芳基、-杂环环基、-芳基-芳基、-芳基-杂环芳基、-芳基-杂环环基、-杂环芳基-芳基、-杂环芳基-杂环芳基、-杂环芳基-杂环环基、-杂环环基-芳基、-杂环环基-杂环芳基或-杂环环基-杂环环基基团，所有这些基团都可以选择性地被一个或多个（例如1、2或3个）卤素、C1-6烷基（可选地被一个或多个羟基取代）、C3-8环烷基、C1-6烷氧基、羟基、haloC1-6烷基、haloC1-6烷氧基、氰基、—S—C1-6烷基、—SO—C1-6烷基、—SO2—C1-6烷基、—COR7、—CONR7R8、—NR7R8、—NR7COC1-6烷基、—NR7SO2—C1-6烷基、C1-6烷基-NR7R8、—OCONR7R8、—NR7CO2R8或—SO2NR7R8基团取代； R4和R5独立地代表C1-6烷基，或者R4和R5与它们所连接的碳原子一起可以形成C3-8环烷基； R6代表卤素、C1-6烷基、C3-8环烷基、C1-6烷氧基、haloC1-6烷基或haloC1-6烷氧基； s表示从0到4的整数； R7和R8独立地代表氢、C1-6烷基或C3-8环烷基； 或其溶剂化合物。
• Pyridine derivatives and their use in the treatment of psychotic disorders
  申请人：GlaxoSmithKline LLC

  公开号：EP2336136A1

  公开（公告）日：2011-06-22

  There are provided according to the invention novel compounds of formula (I) or a pharmaceutically acceptable salt thereof: wherein: X represents a nitrogen atom; Y represents -C(H2)-, (-C(H2)-)2, -S(O2)- or -C(=O)-; Z represents -C(H2)-, -S(O2)-, -N(Rz)-, or an oxygen or sulphur atom; A represents hydrogen or -CH2OH; Rz represents hydrogen, C1-6 alkyl, C1-6 alkoxy, -COR7 or-SO2R7; R1 represents halogen, C1-6 alkyl, C1-6 alkoxy, =O, haloC1-6 alkyl, haloC1-6 alkoxy, hydroxyl or -CH2OH; m represents an integer from 0 to 3; R2 represents halogen, =O, C1-6 alkyl (optionally substituted by one or more hydroxyl groups), -COOR 7, -CONR7R8, C1-6 alkoxy, haloC1-6 alkyl, haloC1-6 alkoxy or C1-6alkylOC1-6alkyl; n represents an integer from 0 to 3; p and q independently represent an integer from 0 to 2; R3 represents an -aryl, -heteroaryl, -heterocyclyl, -aryl-aryl, -aryl-heteroaryl, -aryl-heterocyclyl, -heteroaryl-aryl, -heteroaryl-heteroaryl, -heteroaryl-heterocyclyl, -heterocyclyl-aryl, -heterocyclyl-heteroaryl or-heterocyclyl-heterocyclyl group, all of which may be optionally substituted by one or more (e.g. 1, 2 or 3) halogen, C1-6 alkyl (optionally substituted by one or more hydroxyl groups), C3-8 cycloalkyl, C1-6 alkoxy, hydroxyl, haloC1-6 alkyl, haloC1-6 alkoxy, cyano, -S-C1-6 alkyl, -SO-C1-6 alkyl, -SO2-C1-6 alkyl, -COR7, - CONR7R8, -NR7R8, -NR7COC1-6 alkyl, -NR7SO2C1-6 alkyl, C1-6 alkyl-NR7R8, -OCONR7R8, - NR7CO2R8 or -SO2NR7R8 groups; R4 and R5 independently represent C1-6 alkyl, or R4 and R5 together with the carbon atom to which they are attached may together form a C3-8 cycloalkyl group; R6 represents halogen, C1-6 alkyl, C3-8 cycloalkyl, C1-6 alkoxy, halOC1-6 alkyl or halOC1-6 alkoxy; s represents an integer from 0 to 4; R7 and R3 independently represent hydrogen, C1-6 alkyl or C3-8 cycloalkyl; or solvates thereof.

  根据本发明提供了新型的式 (I) 化合物或其药学上可接受的盐： 其中 X代表氮原子； Y代表-C(H2)-、(-C(H2)-)2、-S(O2)-或-C(＝O)-； Z 代表-C(H2)-、-S(O2)-、-N(Rz)-或氧原子或硫原子； A 代表氢或-CH2OH Rz 代表氢、C1-6 烷基、C1-6 烷氧基、-COR7 或-SO2R7； R1 代表卤素、C1-6 烷基、C1-6 烷氧基、=O、卤代 C1-6 烷基、卤代 C1-6 烷氧基、羟基或 -CH2OH； m 代表 0 至 3 的整数； R2 代表卤素、=O、C1-6 烷基（任选被一个或多个羟基取代）、-COOR 7、-CONR7R8、C1-6 烷氧基、卤代 C1-6 烷基、卤代 C1-6 烷氧基或 C1-6 烷基OC1-6 烷基； n 代表 0 至 3 的整数； p 和 q 分别代表 0 至 2 的整数； R3代表-芳基、-杂芳基、-杂环基、-芳基-芳基、-芳基-杂芳基、-芳基-杂环基、-杂芳基-芳基、-杂芳基-杂芳基、g.-S-C1-6烷基、-SO-C1-6烷基、-SO2-C1-6烷基、-COR7、-CONR7R8、-NR7R8、-NR7COC1-6烷基、-NR7SO2C1-6烷基、C1-6烷基-NR7R8、-OCONR7R8、-NR7CO2R8 或-SO2NR7R8 基团； R4 和 R5 独立地代表 C1-6 烷基，或 R4 和 R5 与它们所连接的碳原子可共同形成 C3-8 环烷基； R6 代表卤素、C1-6 烷基、C3-8 环烷基、C1-6 烷氧基、halOC1-6 烷基或 halOC1-6 烷氧基； s 代表 0 至 4 的整数； R7 和 R3 各自代表氢、C1-6 烷基或 C3-8 环烷基； 或其溶剂。