tert-butyl (1,2,5-thiadiazol-3-yl)carbamate | 152513-86-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 亚胺内酰胺
• 英文名称: tert-butyl (1,2,5-thiadiazol-3-yl)carbamate
• 英文别名: 3-t-butyloxycarbonylamino-1,2,5-thiadazole；tert-butyl N-(1,2,5-thiadiazol-3-yl)carbamate
• CAS: 152513-86-5
• 化学式: C₇H₁₁N₃O₂S
• mdl: MFCD22378808
• 分子量: 201.249
• InChiKey: UEFQUHGWYWICLL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.571
• 拓扑面积：
  92.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  tert-butyl (1,2,5-thiadiazol-3-yl)carbamate 在 盐酸 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 生成 1,2,5-thiadiazol-3-amine hydrochloride
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES INHIBANT L'ACTIVITÉ KINASE DE MNK UTILES POUR LE TRAITEMENT DE DIVERS CANCERS

  摘要：

  公开号：

  WO2017087808A8
• 作为产物：
  描述：

  1,2,5-噻唑-3-羧酸 、 叔丁醇 在 叠氮磷酸二苯酯 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 为溶剂， 反应 16.0h， 生成 tert-butyl (1,2,5-thiadiazol-3-yl)carbamate
  参考文献：
  名称：

  [EN] HETEROCYCLIC COMPOUNDS THAT INHIBIT THE KINASE ACTIVITY OF MNK USEFUL FOR TREATING VARIOUS CANCERS
  [FR] COMPOSÉS HÉTÉROCYCLIQUES INHIBANT L'ACTIVITÉ KINASE DE MNK UTILES POUR LE TRAITEMENT DE DIVERS CANCERS

  摘要：

  公开号：

  WO2017087808A8

文献信息

• [EN] ANTIBACTERIAL OXAZOLIDINONES<br/>[FR] OXAZOLIDINONES ANTIBACTERIENS
  申请人：ASTRAZENECA AB

  公开号：WO2004056816A1

  公开（公告）日：2004-07-08

  A compound of the formula (I), or a pharmaceutically-acceptable salt, or in-vivo hydrolysable ester thereof: formula (I)wherein C is selected from D and E, formula (II) R2a, R6a, and R3a are independently selected from for example H, CF3, Me and Et;R2b and R6b are independently selected from for example H, F, CF3, Me and Et; R1b is -NRz-Z wherein Rz is for example hydrogen and Z is a 5- or 6-membered heteroaryl ring;R4 is for example an optionally substituted 5- or 6-membered heterocyclic ring system. Methods for making compounds of the formula (I), compositions containing them and their use as antibacterial agents are also described.

  一种具有以下结构式（I）的化合物，或其药学上可接受的盐，或其体内可水解的酯：结构式（I）其中C从D和E中选择，结构式（II）R2a，R6a和R3a可独立选择，例如H，CF3，Me和Et；R2b和R6b可独立选择，例如H，F，CF3，Me和Et；R1b为-NRz-Z，其中Rz例如为氢，Z为5-或6-成员杂环芳基环；R4例如是一个可选择取代的5-或6-成员杂环基团。还描述了制备具有结构式（I）的化合物的方法，含有它们的组合物以及它们作为抗菌剂的用途。
• Heterocyclylaminomethyloxazo-lidinones as antibacterials
  申请人：AstraZeneca AB

  公开号：US20030207899A1

  公开（公告）日：2003-11-06

  Compounds of formula (I) 1 , or a pharmaceutically-acceptable salt, or an in-vivo-hydrolysable ester thereof, wherein, for example, HET is an optionally substituted C-linked 5-membered heteroaryl ring containing 2 to 4 heteroatoms independently selected from N, O and S; Q is selected from, for example, Q3 and Q5; R 2 and R 3 are independently hydrogen or fluoro; T is selected from a range of groups, for example, an N-linked (fully unsaturated) 5-membered heteroaryl ring system or a group of formula (TC5): wherein Rc is, for example, R 13 CO—, R 13 SO 2 — or R 13 CS—; wherein R 13 is, for example, optionally substituted (1-10C)alkyl or R 14 C(O)O(1-6C)alkyl wherein R 14 is optionally substituted (1-10C)alkyl; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.

  化合物的公式（I）1，或其药用盐，或其体内可水解酯，其中，例如，HET是一个含有2到4个异原子（N、O和S）的可选择取代的C-连接的5元杂环芳烃环；Q可以从Q3和Q5中选择；R2和R3独立地为氢或氟；T可以从一系列基团中选择，例如，一个N-连接的（完全不饱和的）5元杂环芳烃环系统或一个公式（TC5）的基团：其中Rc是，例如，R13CO—，R13SO2—或R13CS—；其中R13是，例如，可选择取代的（1-10C）烷基或R14C(O)O(1-6C)烷基，其中R14是可选择取代的（1-10C）烷基；作为抗菌剂是有用的；并描述了它们的制备方法和含有它们的药物组合物。
• Antibacterial oxazolidinones
  申请人：Gravestock Barry Michael

  公开号：US20060116389A1

  公开（公告）日：2006-06-01

  A compound of the formula (I), or a pharmaceutically-acceptable salt, or in-vivo hydrolysable ester thereof: formula (I) wherein C is selected from D and E, formula (II) R 2 a, R 6 a, and R 3 a are independently selected from for example H, CF 3 , Me and Et; R 2 b and R 6 b are independently selected from for example H, F, CF 3 , Me and Et; R 1 b is —NRz-Z wherein Rz is for example hydrogen and Z is a 5- or 6-membered heteroaryl ring; R 4 is for example an optionally substituted 5- or 6-membered heterocyclic ring system. Methods for making compounds of the formula (I), compositions containing them and their use as antibacterial agents are also described.

  公式（I）的化合物，或其药学上可接受的盐，或其体内水解酯：公式（I）其中C选择自D和E，公式（II）R2a，R6a和R3a分别独立选择自例如H，CF3，Me和Et; R2b和R6b分别独立选择自例如H，F，CF3，Me和Et; R1b为—NRz-Z，其中Rz例如为氢，Z为5-或6-成员杂环芳基环；R4例如为可选取代的5-或6-成员杂环环系。还描述了制备公式（I）化合物的方法，含有它们的组合物及其作为抗菌剂的用途。
• Heterocyclylaminomethyloxazolidinones as antibacterials
  申请人：AstraZeneca AB

  公开号：US06734200B1

  公开（公告）日：2004-05-11

  Compounds of formula (I), or a pharmaceutically-acceptable salt, or an in-vivo-hydrolyzable ester thereof, wherein, for example, HET is an optionally substituted C-linked 5-membered heteroaryl ring containing 2 to 4 heteroatoms independently selected from N, O and S; Q is selected from, for example, Q1 and Q2: R2 and R3 are independently hydrogen or fluoro; T is selected from a range of groups, for example, an N-linked (fully unsaturated) 5-membered heteroaryl ring system or a group of formula (TC5): wherein Rc is, for example, R13CO—, R13SO2— or R13CS—; wherein R13 is, for example, optionally substituted (1-10C)alkyl or R14C(O)O(1-6C)alkyl wherein R14 is optionally substituted (1-10C)alkyl; are useful as antibacterial agents; and processes for their manufacture and pharmaceutical compositions containing them are described.

  公式（I）的化合物，或其药学上可接受的盐，或其体内可水解的酯，其中，例如，HET是一种可选择的取代的C-连接的5成员杂环芳基环，其中含有2至4个独立选择自N、O和S的杂原子；Q从Q1和Q2中选择，例如：R2和R3独立地为氢或氟；T从一系列基团中选择，例如，一种N-连接的（完全不饱和的）5成员杂环芳基环系统或公式（TC5）的基团：其中Rc是，例如，R13CO—、R13SO2—或R13CS—；其中R13是，例如，可选择的取代的（1-10C）烷基或R14C（O）O（1-6C）烷基，其中R14是可选择的取代的（1-10C）烷基；这些化合物对抗菌有用；并描述了制造它们的过程和含有它们的药物组合物。
• Heterocyclic compounds that inhibit the kinase activity of Mnk useful for treating various cancers
  申请人：eFFECTOR Therapeutics, Inc.

  公开号：US10000487B2

  公开（公告）日：2018-06-19

  The present invention provides synthesis, pharmaceutically acceptable formulations and uses of compounds in accordance with Formula IA or Formula IB, as well as stereoisomers, tautomers or pharmaceutically acceptable salts thereof. For Formula IA and Formula IB compounds A1, A2, A3, A4, W1, W2, Y, X, R1, R2, R3, R4a, R4b, R5a, R5b, R6, R7, R8, R9, R9a, R9b, R10 and subscript n are as defined in the specification. The inventive Formula IA and Formula IB compounds are inhibitors of Mnk and find utility in any number of therapeutic applications, including but not limited to treatment of inflammation and various cancers.

  本发明提供了符合式 IA 或式 IB 的化合物及其立体异构体、同系物或药学上可接受的盐的合成、药学上可接受的制剂和用途。 对于式 IA 和式 IB 化合物 A1、A2、A3、A4、W1、W2、Y、X、R1、R2、R3、R4a、R4b、R5a、R5b、R6、R7、R8、R9、R9a、R9b、R10 和下标 n 如说明书中所定义。本发明的式IA和式IB化合物是Mnk的抑制剂，可用于各种治疗应用，包括但不限于炎症和各种癌症的治疗。