1-亚氨基-1Λ6-硫代吗啉1-氧化物 | 1621962-33-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻嗪类
• 中文名称: 1-亚氨基-1Λ6-硫代吗啉1-氧化物
• 英文名称: 1-imino-1,4-thiazinane 1-oxide
• 英文别名: 1-Iminothiomorpholine 1-oxide
• CAS: 1621962-33-1
• 化学式: C₄H₁₀N₂OS
• 分子量: 134.202
• InChiKey: LVKJUNIPYABARM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  8
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  61.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-亚氨基-1Λ6-硫代吗啉1-氧化物 、 2-氯苯基硼酸 在 copper diacetate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 72.0h， 生成
  参考文献：
  名称：

  Sulfoximines from a Medicinal Chemist's Perspective: Physicochemical and in vitro Parameters Relevant for Drug Discovery

  摘要：

  Sulfoximines, sulfondiimides and sulfonimidamides are fascinating but not yet fully explored variants of the common sulfone or sulfonamide motif. In this study, we report the physicochemical and in vitro properties of sulfoximines and compare them with related analogs and isosteres. Furthermore, we present a matched molecular pair analysis of compounds from drug discovery projects within Boehringer Ingelheim. We demonstrate that the sulfoximine moiety is a chemically stable, comparatively polar and weakly basic functional group, often leading to favorable aqueous solubility, permeability and metabolic stability. Moreover, their additional vectors at nitrogen enable simple chemical modifications and thus facilitate exploration and fine-tuning of the molecular properties. We conclude that sulfoximines and their congeners do not exhibit any intrinsic flaw but significantly enrich the toolbox of medicinal chemists. (C) 2016 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2016.09.091
• 作为产物：
  描述：

  benzyl 1-imino-1λ⁶-thiomorpholine-4-carboxylate-1-oxide 在 氢溴酸 、 溶剂黄146 作用下， 生成 1-亚氨基-1Λ6-硫代吗啉1-氧化物
  参考文献：
  名称：

  1H-PYRAZOLE DERIVATIVE AND APPLICATION THEREOF AS DUAL TARGET INHIBITOR OF SYK AND VEGFR2

  摘要：

  一类作用于脾脏酪氨酸激酶(Syk)和血管内皮生长因子受体2(VEGFR2)的双抑制剂，特别地，其中包含了一种由式(I)表示的化合物、其药学上可接受的盐，及其在脾脏酪氨酸激酶和血管内皮生长因子受体2双抑制剂相关药物制备中的应用。

  公开号：

  EP4112621A1

文献信息

• [EN] SULFOXIMINE SUBSTITUTED QUINAZOLINES FOR PHARMACEUTICAL COMPOSITIONS<br/>[FR] QUINAZOLINES SUBSTITUÉES PAR UNE SULFOXIMINE DESTINÉES À DES COMPOSITIONS PHARMACEUTIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2015169677A1

  公开（公告）日：2015-11-12

  The application relates to novel sulfoximine substituted quinazoline derivatives of formula (I) wherein Ar, R1, R2 and R3 are as defined in the description and claims, and their use as MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) kinase inhibitors, pharmaceutical compositions containing the same, and methods of using the same as agents for treatment or amelioration of MNK1 (MNK1a or MNK1b) and/or MNK2 (MNK2a or MNK2b) mediated disorders.

  该申请涉及式(I)的新型磺酰胺取代喹唑啉衍生物，其中Ar、R1、R2和R3如描述和声明中所定义，并且它们作为MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）激酶抑制剂的用途，含有相同化合物的药物组合物，以及将其用作治疗或改善MNK1（MNK1a或MNK1b）和/或MNK2（MNK2a或MNK2b）介导的疾病的药剂的方法。
• [EN] NOVEL HETEROCYCLIC COMPOUNDS AS TYROSINE KINASE BCR-ABL INHIBITORS<br/>[FR] NOUVEAUX COMPOSÉS HÉTÉROCYCLIQUES COMME INHIBITEURS DE LA TYROSINE KINASE BCR-ABL
  申请人：ASTAR BIOTECH LLC

  公开号：WO2017186148A1

  公开（公告）日：2017-11-02

  Disclosed is a compound of Formula (Ⅰ) or a pharmaceutically acceptable salt thereof, wherein the variables are described herein. Also disclosed is a process for the preparation of compounds, their pharmaceutical compositions comprising the same as an active ingredient, methods using said compositions in the treatment of various disorders, and use of the compounds in the manufacture of a medicament in inhibition of the enzymatic activities of ABL1, ABL2 and related chimeric proteins.

  揭示了一种式（Ⅰ）的化合物或其药学上可接受的盐，其中所述的变量在此处描述。还揭示了一种制备化合物的方法，其药用组合物包括作为活性成分的相同化合物，使用这些组合物治疗各种疾病的方法，以及利用这些化合物制造药物以抑制ABL1、ABL2和相关嵌合蛋白的酶活性。
• General synthetic strategies towards N-alkyl sulfoximine building blocks for medicinal chemistry and the use of dimethylsulfoximine as a versatile precursor
  作者：Frederick W. Goldberg、Jason G. Kettle、Jian Xiong、Daoguang Lin

  DOI：10.1016/j.tet.2014.06.120

  日期：2014.9

  The sulfoximine group has great potential as a substituent in drug discovery, as evidenced by two new clinical candidates, and can be viewed as an isosteric alternative to the commonly used sulfone. Our aim was to improve the accessibility of this group by synthesising a diverse range of S-alkyl and N-alkyl sulfoximine building blocks with procedures that are applicable on a practical scale (>10 g)

  如两个新的临床候选药所证明的，亚砜亚胺基团在药物开发中具有巨大的取代基潜力，并且可以被视为通常使用的砜的等规替代物。我们的目的是通过合成各种范围的S-烷基和N-烷基硫代肟基结构单元，并以实用规模（> 10 g）应用的方法，以改善该基团的可及性。特别地，讨论了开发程度较差的N-烷基亚磺酰亚胺的合成以及二甲基亚磺酰亚胺作为通用的，可商购的前体的用途。
• [EN] INDAZOLE COMPOUNDS<br/>[FR] COMPOSÉS D'INDAZOLE
  申请人：TYRA BIOSCIENCES INC

  公开号：WO2021138391A1

  公开（公告）日：2021-07-08

  Disclosed herein are indazole compounds and methods of treating diseases and/or conditions (e.g., cancer) with the indazole compounds disclosed herein.

  本文披露了吲唑类化合物以及利用本文披露的吲唑类化合物治疗疾病和/或病症（例如癌症）的方法。
• [EN] ANTAGONIST COMPOUNDS<br/>[FR] COMPOSÉS ANTAGONISTES
  申请人：ADORX THERAPEUTICS LTD

  公开号：WO2022023772A1

  公开（公告）日：2022-02-03

  The present invention relates to compounds of formula (I) shown below: wherein R1, R2, R3, R4, R5 and R6 are each as defined in the application. The present invention also relates to processes for the preparation of these compounds, to pharmaceutical compositions comprising them, and to their use in the treatment of diseases or conditions in which adenosine A2a and/or A2b receptor activity is implicated, such as, for example, cancer.

  本发明涉及如下所示的式(I)化合物：其中R1、R2、R3、R4、R5和R6在申请中各自定义。本发明还涉及制备这些化合物的方法，包括含有它们的药物组合物，以及它们在治疗腺苷A2a和/或A2b受体活性参与的疾病或病况中的用途，例如癌症。