4-甲氧基苯乙磺酰氯 | 110661-59-1

• 物质功能分类: 化学试剂 - 有机试剂 - 磺酰卤化物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 中文名称: 4-甲氧基苯乙磺酰氯
• 中文别名: (4-甲氧基苯基)甲烷磺酰氯
• 英文名称: (p-methoxyphenyl)methanesulfonyl chloride
• 英文别名: p-methoxybenzyl sulfonyl chloride；(4-Methoxyphenyl)methanesulfonyl chloride
• CAS: 110661-59-1
• 化学式: C₈H₉ClO₃S
• 分子量: 220.677
• InChiKey: VEFXSKSTBDKZFF-UHFFFAOYSA-N

物化性质

• 沸点：
  332.7±25.0 °C(Predicted)
• 密度：
  1.360±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  51.8
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2909309090

反应信息

• 作为反应物：
  描述：

  4-甲氧基苯乙磺酰氯 在 盐酸羟胺 、 sodium methylate 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 76.0h， 生成 N-hydroxy-2(R)-[[(4-methoxyphenyl)sulfonyl](3-picolyl)amino]-3-methylbutanamide
  参考文献：
  名称：

  A Multidisciplinary Approach to Probing Enthalpy–Entropy Compensation and the Interfacial Mobility Model

  摘要：

  In recent years, interfacial mobility has gained popularity as a model with which to rationalize both affinity in ligand binding and the often observed phenomenon of enthalpy-entropy compensation. While protein contraction and reduced mobility, as demonstrated by computational and NMR techniques respectively, have been correlated to entropies of binding for a variety of systems, to our knowledge, Raman difference spectroscopy has never been included in these analyses. Here, nonresonance Raman difference spectroscopy, isothermal titration calorimetry, and X-ray crystallography were utilized to correlate protein contraction, as demonstrated by an increase in protein interior packing and decreased residual protein movement, with trends of enthalpy-entropy compensation. These results are in accord with the interfacial mobility model and lend additional credence to this view of protein activity.

  DOI：

  10.1021/ja1098287
• 作为产物：
  描述：

  2-(4-methoxybenzyl)isothiourea hydrochloride 在 氯 作用下， 以 水 为溶剂， 生成 4-甲氧基苯乙磺酰氯
  参考文献：
  名称：

  Nucleophilic displacement at sulfur center. 22. Nucleophilic substitution reaction of phenylmethanesulfonyl halides with anilines

  摘要：

  DOI：

  10.1021/ja00258a036

文献信息

• Anti-inflammatory medicaments
  申请人：Flynn L. Daniel

  公开号：US20050288286A1

  公开（公告）日：2005-12-29

  Novel compounds and methods of using those compounds for the treatment of inflammatory conditions are provided. In a preferred embodiment, modulation of the activation state of p38 kinase protein comprises the step of contacting the kinase protein with the novel compounds.

  提供了用于治疗炎症性疾病的新化合物和使用这些化合物的方法。在一个首选实施例中，调节p38激酶蛋白的活化状态包括将该激酶蛋白与新化合物接触的步骤。
• [EN] PYRAZOLO-PYRIMIDINES AS INHIBITORS OF BTK<br/>[FR] PYRAZOLO-PYRIMIDINES EN TANT QU'INHIBITEURS DE BTK
  申请人：REDX PHARMA PLC

  公开号：WO2015140566A1

  公开（公告）日：2015-09-24

  This invention relates to novel compounds. The compounds of the invention are tyrosine kinase inhibitors. Specifically, the compounds of the invention are useful as inhibitors of Bruton's tyrosine kinase (BTK). The invention also contemplates the use of the compounds for treating conditions treatable by the inhibition of Bruton's tyrosine kinase, for example cancer, lymphoma, leukemia and immunological diseases.

  这项发明涉及新颖的化合物。该发明的化合物是酪氨酸激酶抑制剂。具体来说，该发明的化合物可用作布鲁顿氏酪氨酸激酶（BTK）的抑制剂。该发明还考虑了利用这些化合物治疗通过抑制布鲁顿氏酪氨酸激酶可治疗的疾病，例如癌症、淋巴瘤、白血病和免疫性疾病。
• PARA-QUINOL DERIVATIVES AND METHODS OF STEREO SELECTIVELY SYNTHESIZING AND USING SAME
  申请人：Plourde Guy L.

  公开号：US20090318548A1

  公开（公告）日：2009-12-24

  This application relates to para-quinol derivatives, such as analogues of manumycins, aranorosins and gymnastatins. This application also relates to methods of synthesizing and using the para-quinol derivatives. In one embodiment of the invention a compound having the chemical structure (I) is provided wherein X 1 and X 2 are carbon atoms either joined by double bond or joined by a single bond and comprising constituents of an epoxide ring or a hydroxyethylene moiety; X 3 and X 4 are carbon atoms either joined by double bond or joined by a single bond and comprising constituents of an epoxide ring; R 1 is selected from the group consisting of branched alkyl chains, unbranched alkyl chains, cycloalkyl groups, aromatic groups, alcohols, ethers, amines, and substituted or unsubstituted ureas, esters, aldehydes and carboxylic acids; and R 2 is selected from the group consisting of H, OH and NHR 3 wherein R 3 is a nitrogen protecting group. In a particular embodiment of the invention R 1 is a polyunsaturated carbon chain as found in biologically active manumycins. The applicant's synthetic method may involve diasteroselective formation of a spirolactone in an oxidative spiroannulation process using tyrosine or a tyrosine derivative having a chiral centre as a starting material.

  本申请涉及对位喹啉衍生物，例如曼纽霉素、阿拉诺罗辛和体操霉素的类似物。本申请还涉及合成和使用对位喹啉衍生物的方法。在发明的一个实施例中，提供了具有化学结构（I）的化合物，其中X1和X2是由双键连接或单键连接的碳原子，并包括环氧环或羟基乙烯基的组分；X3和X4是由双键连接或单键连接的碳原子，并包括环氧环的组分；R1选自支链烷基链，直链烷基链，环烷基团，芳香族团，醇，醚，胺和取代或未取代的脲、酯、醛和羧酸；R2选自H，OH和NHR3，其中R3是氮保护基。在发明的一个特定实施例中，R1是生物活性曼纽霉素中发现的多不饱和碳链。申请人的合成方法可能涉及使用酪氨酸或手性中心的酪氨酸衍生物作为起始材料，在氧化螺环化过程中二面体选择性地形成螺内酯。
• 3,4'-DIDEOXYMYCAMINOSYLTYLONOLIDE DERIVATIVE AND PRODUCTION THEREOF
  申请人：ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI

  公开号：EP0627443A1

  公开（公告）日：1994-12-07

  A compound represented by general formula (1) which is useful for producing 3,4'-dideoxymycaminosyltylonolide useful as an antibacterial substance. In the said formula, A represents optionally protected carbonyl; B represents optionally protected formyl; R¹ represents optionally protected hydroxy; R² represents hydrogen or acyl; W represents hydrogen, hydroxy, lower alkanoyloxy or substituted sulfonyloxy; Y represents hydrogen, halogen, hydroxy or substituted sulfonyloxy; and symbol --- represents either a double or a single bond.

  通式(1)代表的化合物，可用于生产作为抗菌物质的 3,4'-二脱氧氨基甲酰扁桃内酯。在上述通式中，A代表受保护的羰基；B代表受保护的甲酰基；R¹代表受保护的羟基；R²代表氢或酰基；W代表氢、羟基、低级烷酰氧基或取代的磺酰氧基；Y代表氢、卤素、羟基或取代的磺酰氧基；符号----代表双键或单键。
• Yoshioka, Masato; Nakai, Hisao; Ohno, Masaji, Heterocycles, 1984, vol. 21, # 1, p. 151 - 166
  作者：Yoshioka, Masato、Nakai, Hisao、Ohno, Masaji

  DOI：——

  日期：——