(甲基二亚胺代磺酰基)甲烷 | 13904-95-5

• 分子结构分类: 有机化合物 - 有机硫化合物
• 中文名称: (甲基二亚胺代磺酰基)甲烷
• 英文名称: S,S-dimethylsulfodiimide
• 英文别名: S.S-Dimethyl-sulfodiimin；S,S-Dimethylsulfodiimid；S,S-dimethylsulfur diimide；Sulfur, diimidodimethyl-；diimino(dimethyl)-λ6-sulfane
• CAS: 13904-95-5
• 化学式: C₂H₈N₂S
• 分子量: 92.1649
• InChiKey: YVEUHSWFOYPLLX-UHFFFAOYSA-N

物化性质

• 沸点：
  81.4±23.0 °C(Predicted)
• 密度：
  1.324 g/cm3

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  5
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  56.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (甲基二亚胺代磺酰基)甲烷 在 盐酸 作用下， 生成 chloromethanesulfenyl chloride
  参考文献：
  名称：

  Appel,R. et al., Chemische Berichte, 1966, vol. 99, p. 3108 - 3117

  摘要：

  DOI：
• 作为产物：
  描述：

  二甲基硫 在 次氯酸叔丁酯 、 氨 作用下， 以 乙腈 为溶剂， 反应 48.0h， 以30%的产率得到(甲基二亚胺代磺酰基)甲烷
  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

文献信息

• [EN] SULFOXIMINE SUBSTITUTED PYRROLOTRIAZINES FOR PHARMACEUTICAL COMPOSITIONS<br/>[FR] PYRROLOTRIAZINES À SUBSTITUTION SULFOXIMINE POUR COMPOSITIONS PHARMACEUTIQUES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2015091156A1

  公开（公告）日：2015-06-25

  This invention relates to novel sulfoximine substituted pyrrolotriazine derivatives of formula wherein Ar, R1 and R2 are as defined in the description and claims, and their use as MNK1 (MNK1 a or MNK1 b) 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 (MNK1 a or MNK1 b) and/or MNK2 (MNK2a or MNK2b) mediated disorders.

  这项发明涉及一种新型的噻氧亚胺取代吡咯三嗪衍生物，其化学式中Ar、R1和R2的定义如描述和权利要求中所定义，并且它们作为MNK1（MNK1 a或MNK1 b）和/或MNK2（MNK2a或MNK2b）激酶抑制剂的用途，含有这些化合物的药物组合物，以及将其用作治疗或改善MNK1（MNK1 a或MNK1 b）和/或MNK2（MNK2a或MNK2b）介导的疾病的药剂的方法。
• [EN] SUBSTITUTED AMINOQUINOLONES AS DGKALPHA INHIBITORS FOR IMMUNE ACTIVATION<br/>[FR] AMINOQUINOLONES SUBSTITUÉES EN TANT QU'INHIBITEURS DE DGKALPHA POUR ACTIVATION IMMUNITAIRE
  申请人：BAYER AG

  公开号：WO2021105117A1

  公开（公告）日：2021-06-03

  The present invention covers aminoquinolone compounds of general formula (I), in which R1, R2, R3, R4, R5, R6, R7, R8 and n are as defined herein, methods of preparing said compounds, intermediate compounds useful for preparing said compounds, pharmaceutical compositions and combinations comprising said compounds and the use of said compounds for manufacturing pharmaceutical compositions for the treatment and/or prophylaxis of diseases, in particular of diacylglycerol kinase alpha regulated disorders, as a sole agent or in combination with other active ingredients.

  本发明涵盖了一般式(I)的氨基喹啉酮化合物，其中R1、R2、R3、R4、R5、R6、R7、R8和n如本文所定义，制备所述化合物的方法，用于制备所述化合物的中间化合物，包括所述化合物的药物组合物和组合物，以及利用所述化合物制造用于治疗和/或预防疾病的药物组合物，特别是二酰基甘油激酶α调节性疾病，作为唯一药剂或与其他活性成分组合使用。
• Late-Stage Sulfoximidation of Electron-Rich Arenes by Photoredox Catalysis
  作者：Daniel Hog、Robin Meier、Henriette Lämmermann、Alexander Sudau、Daniel Rackl、Hilmar Weinmann、Karl Collins、Lars Wortmann、Lisa Candish

  DOI：10.1055/s-0037-1609656

  日期：2018.12

  and beneficial functionality for pharmaceutical or agrochemical entities. Herein, we report the Csp2–H sulfoximidation of electron-rich arenes ­under the irradiation of blue light using an organic acridinium photocatalyst and molecular oxygen or peroxodisulfates as terminal oxidants. The method allows for the late-stage introduction of various sulfoximines onto complex bioactive compounds showing high

  据报道，亚砜亚胺基团对药物或农业化学实体具有多功能且有益的功能。在此，我们报道了使用有机吖啶光催化剂和分子氧或过二硫酸盐作为末端氧化剂在蓝光照射下富电子芳烃的 Csp2-H 亚砜酰亚胺化。该方法允许将各种亚砜亚胺后期引入到复杂的生物活性化合物上，显示出高官能团兼容性，而无需预官能化。
• Highly Symmetrical Amino Acid-Derived<i>N,N</i>′-Diacylated Sulfodiimines
  作者：Carsten Bolm、Juan R. Dehli

  DOI：10.1055/s-2005-861843

  日期：——

  A mild and efficient method for the coupling of sulfodiimines with N-protected amino acids has been developed, yielding the corresponding N,N′-diacylated sulfodiimines with up to 94% yield.

  开发了一种温和有效的磺基二亚胺与 N-保护氨基酸偶联方法，产生相应的 N,N'-二酰基化磺基二亚胺，收率高达 94%。
• Ried, Walter; Pauli, Roland, Liebigs Annalen der Chemie, 1986, # 2, p. 384 - 388
  作者：Ried, Walter、Pauli, Roland

  DOI：——

  日期：——