phenylsulfone

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: phenylsulfone
• 英文别名: benzenesulfinic acid；phenyl sulfonate；phenylsulfonic acid；phenylsulphone；Dioxo(phenyl)-lambda6-sulfane；dioxo(phenyl)-λ6-sulfane
• 化学式: C₆H₆O₂S
• 分子量: 142.178
• InChiKey: XYUAXZDQSDTCHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  35.1
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  phenylsulfone 以 异丙醇 为溶剂， 生成 (Z)-β-isopropoxy-α-(phenylsulfonyl)styrene
  参考文献：
  名称：

  炔基硒鎓盐与苯亚磺酸钠的反应

  摘要：

  合成炔基硒鎓盐2和5，并用苯亚磺酸或其钠盐在醇中处理。与苯亚磺酸钠的反应得到（Z）-β-烷氧基乙烯基砜6作为主要产物，而与苯亚磺酸的反应以良好的产率得到了β-磺酰基乙烯基硒鎓盐11和12。

  DOI：

  10.1016/s0040-4039(97)00175-5
• 作为产物：
  描述：

  sodium;benzenesulfinate 生成 phenylsulfone
  参考文献：
  名称：

  BILOZOR, T. K.;BOLDYREV, B. G., ZH. ORGAN. XIMII, 1984, 20, N 4, 889-890

  摘要：

  DOI：
• 作为试剂：
  描述：

  苯乙烯 、 N-氟代双苯磺酰胺 在 1,10-邻二氮杂菲-5,6-二酮 、 phenylsulfone 、 Pd⁽²⁺⁾*2C₃HF₆O^(1-) 作用下， 以 1,4-二氧六环 为溶剂， 以20%的产率得到N-(benzenesulfonyl)-N-(2-fluoro-1-phenylethyl)benzenesulfonamide
  参考文献：
  名称：

  Highly Selective Pd-Catalyzed Intermolecular Fluorosulfonylation of Styrenes

  摘要：

  A novel Pd-catalyzed intermolecular regio- and diastereoselective fluorosulfonylation of styrenes has been developed under mild conditions. This reaction exhibits a wide range of functional-group tolerance in styrenes and arylsulfinic acids to afford various beta-fluoro sulfones. Preliminary mechanistic study reveals an unusual mechanism, in which a high-valent (L2PdF)-F-III species side-selectively reacts with a benzylic carbon radical to deliver a C-F bond. This pathway is distinct from a previously reported radical fluorination reaction.

  DOI：

  10.1021/ja5131676

文献信息

• IDO1 INHIBITOR AND PREPARATION METHOD AND APPLICATION THEREOF
  申请人：SHANDONG LUYE PHARMACEUTICAL CO., LTD.

  公开号：US20190169140A1

  公开（公告）日：2019-06-06

  A compound as an indoleamine-2,3-dioxygenase 1 (IDO1) inhibitor, and an application thereof in the field of IDO1-related diseases, and in particular a compound as shown in formula (I) and a pharmaceutically acceptable salts thereof.

  一种作为吲哌酮胺-2,3-二氧化酶1（IDO1）抑制剂的化合物，以及其在IDO1相关疾病领域中的应用，特别是如公式（I）所示的化合物及其药用可接受的盐。
• Sulfamoylheteroaryl pyrazole compounds as anti-inflammatory/analgesic agents
  申请人：PFIZER INC.

  公开号：US20030144280A1

  公开（公告）日：2003-07-31

  This invention relates to a compound of the formula: 1 or a pharmaceutically acceptable salt thereof, wherein A and R 1 are each an optionally substituted 5 to 6-membered heteroaryl, wherein the heteroaryl is optionally fused to a carbocyclic ring or 5 to 6-heteroaryl; R 2 is NH 2 ; R 3 and R 4 are each hydrogen, halo, (C 1 -C 4 )alkyl optionally substituted with halo and the like; and X 1 to X 4 are each hydrogen, halo, hydroxy, (C 1 -C 4 )alkyl optionally substituted with halo and the like. These compounds have COX-2 inhibiting activity and thus useful for treating or preventing inflammation or other COX-2 related diseases.

  本发明涉及一种化合物的公式： 1 或其药用可接受的盐，其中A和R 1 各自为可选地取代的5至6成员的杂芳基，其中杂芳基可选择性熔合至碳环或5至6-杂芳基；R 2 为NH 2 ；R 3 和R 4 各自为氢，卤素，(C 1 -C 4 )烷基可选择性被卤素等取代；和X 1 至X 4 各自为氢，卤素，羟基，(C 1 -C 4 )烷基可选择性被卤素等取代。这些化合物具有COX-2抑制活性，因此可用于治疗或预防炎症或其它COX-2相关疾病。
• [EN] COMPOSITES, METHODS AND USES THEREOF<br/>[FR] COMPOSITES, PROCÉDÉS ET UTILISATIONS ASSOCIÉS
  申请人：NAT UNIV SINGAPORE

  公开号：WO2021107872A1

  公开（公告）日：2021-06-03

  The present invention relates, in general terms, to methods of catalysing a reaction, including the steps of contacting a chemical entity comprising a sulphide moiety with a composite and an oxidant. The composite acts as a heterogeneous catalyst to oxidise the sulphide moiety. The present invention also relates to composites, methods of synthesising the composites and its use as a catalyst thereof.

  本发明总体上涉及催化反应的方法，包括将包含硫化物基团的化学实体与复合材料和氧化剂接触的步骤。该复合材料作为异质催化剂，用于氧化硫化物基团。本发明还涉及复合材料、合成该复合材料的方法及其作为催化剂的用途。
• 1-CYANO-PYRROLIDINE DERIVATIVES AS DUB INHIBITORS
  申请人：MISSION THERAPEUTICS LIMITED

  公开号：US20200331888A1

  公开（公告）日：2020-10-22

  The present invention relates to novel compounds and methods for the manufacture of inhibitors of deubiquitylating enzymes (DUBs). In particular, the invention relates to the inhibition of ubiquitin C-terminal hydrolase 30 or ubiquitin specific peptidase 30 (USP30). The novel compounds have formula (I): (Formula (I)) or are pharmaceutically acceptable salts thereof, wherein: R 1a , R 1b , R 1c , R 1d , R 1e and R 1f each independently represent hydrogen, optionally substituted C 1 -C 6 alkyl or optionally substituted C 3 -C 4 cycloalkyl, or R 1b and R 1c together form an optionally substituted C 3 -C 6 cycloalkyl ring, or R 1d and R 1e together form an optionally substituted C 3 -C 6 cycloalkyl ring; R 2 represents hydrogen or optionally substituted C 1 -C 6 alkyl; A represents an optionally further substituted 5 to 10 membered monocyclic or bicyclic heteroaryl, heterocyclyl or aryl ring; L represents a covalent bond or linker; B represents an optionally substituted 3 to 10 membered monocyclic or bicyclic heterocyclyl, heteroaryl, cycloalkyl or aryl ring; and when -A-L-B is at position x attachment to A is via a carbon ring atom of A, and either: A cannot be triazolopyridazinyl, triazolopyridinyl, imidazotriazinyl, imidazopyrazinyl or pyrrolopyrimidinyl; or B cannot be substituted with phenoxyl; or B cannot be cyclopentyl when L is an oxygen atom.

  本发明涉及新化合物和制备去泛素化酶（DUBs）抑制剂的方法。具体而言，本发明涉及抑制泛素C-末端水解酶30或泛素特异性肽酶30（USP30）。这些新化合物的化学式为（I）：（化学式（I）），或其药学上可接受的盐，其中：R1a，R1b，R1c，R1d，R1e和R1f分别独立地代表氢，可选择地取代的C1-C6烷基或可选择地取代的C3-C4环烷基，或者R1b和R1c共同形成一个可选择地取代的C3-C6环烷基环，或者R1d和R1e共同形成一个可选择地取代的C3-C6环烷基环；R2代表氢或可选择地取代的C1-C6烷基；A代表一个可选择地进一步取代的5到10个成员的单环或双环杂环芳基，杂环烷基或芳基环；L代表一个共价键或连接物；B代表一个可选择地取代的3到10个成员的单环或双环杂环烷基，杂环芳基，环烷基或芳基环；当-A-L-B位于位置x时，通过A的一个碳环原子连接到A，且：A不能是三唑吡啶基，三唑吡啉基，咪唑三嗪基，咪唑吡嗪基或吡咯嘧啶基；或者B不能被苯氧基取代；或者当L是氧原子时，B不能是环戊基。
• [EN] ARYL SULFONOHYDRAZIDES<br/>[FR] ARYL-SULFONOHYDRAZIDES
  申请人：UNIV MONASH

  公开号：WO2016198507A1

  公开（公告）日：2016-12-15

  Compound of formula (I) wherein A is selected from (i), where RF1 is H or F; (ii); (iii) a N-containing C6 heteroaryl group; and B is (B), where X1 is either CRF2 or N, where RF2 is H or F; X2 is either CR3 or N, where R3 is selected from H, Me, CI, F OMe; X3 is either CH or N; X4 is either CRF3 or N, where RF3 is H or F; where only one or two of X1, X2, X3 and X4 may be N; and R4 is selected from I, optionally substituted phenyl, optionally substituted C5-6 heteroaryl; optionally substituted C1-6 aIkyI and optionally substituted C1-6 alkoxy, which are useful in the treatment of a condition ameliorated by the inhibition of MOZ.

  化合物的结构式（I），其中A从（i）中选择，其中RF1为H或F；（ii）；（iii）含氮的C6杂环芳基团；B为（B），其中X1为CRF2或N，其中RF2为H或F；X2为CR3或N，其中R3从H，Me，CI，F OMe中选择；X3为CH或N；X4为CRF3或N，其中RF3为H或F；其中X1、X2、X3和X4中仅有一个或两个可能为N；R4从I，可选择取代的苯基，可选择取代的C5-6杂环芳基；可选择取代的C1-6烷基和可选择取代的C1-6烷氧基中选择，这些化合物在通过抑制MOZ改善的疾病治疗中有用。