ethyl 2-(4-(chlorosulfonyl)phenyl)acetate | 87202-52-6

• 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: ethyl 2-(4-(chlorosulfonyl)phenyl)acetate
• 英文别名: ethyl 4-(chlorosulfonyl)phenyl acetate；(4-Chlorosulfonyl-phenyl)-acetic acid ethyl ester；ethyl 2-(4-chlorosulfonylphenyl)acetate
• CAS: 87202-52-6
• 化学式: C₁₀H₁₁ClO₄S
• 分子量: 262.714
• InChiKey: DJZDJYQHMMORTE-UHFFFAOYSA-N

物化性质

• 沸点：
  349.9±25.0 °C(Predicted)
• 密度：
  1.344±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  16
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  ethyl 2-(4-(chlorosulfonyl)phenyl)acetate 在 过氧化苯甲酰 N-溴代丁二酰亚胺(NBS) 作用下， 以 四氯化碳 为溶剂， 反应 48.0h， 生成 bromo-(4-chlorosulfonyl-phenyl)-acetic acid ethyl ester
  参考文献：
  名称：

  ACETAMIDE DERIVATIVES AS GLUCOKINASE ACTIVATORS, THEIR PROCESS AND MEDICINAL APPLICATION

  摘要：

  乙酰胺衍生物，它们的立体异构体、互变异构体、前药、药用可接受盐、多型体、溶剂合物及其配方，用于预防、管理、治疗、控制疾病和/或医疗状况的进展，或者作为激活葡萄糖激酶有益时的辅助治疗，已被披露。该披露还提供了这些乙酰胺衍生物的制备方法。

  公开号：

  US20100310493A1
• 作为产物：
  描述：

  苯乙酸乙酯 在 氯磺酸 作用下， 反应 0.5h， 生成 ethyl 2-(4-(chlorosulfonyl)phenyl)acetate
  参考文献：
  名称：

  Structure-Activity Relationship Study of TXA2 Receptor Antagonists. 4-(2-(4-Substituted Phenylsulfonylamino)ethylthio)phenoxyacetic Acids and Related Compounds.

  摘要：

  我们最近报道了 4-[2-(4-取代苯磺酰氨基)乙硫基]苯氧乙酸及相关化合物显示出了强效的血栓素 A2（TXA2）受体拮抗剂活性。为了了解取代基对生物活性的影响，我们采用汉斯-富士达法对 36 个化合物（包括新合成的化合物）进行了定量结构-活性关系（QSAR）分析。QSAR 研究结果表明，πR 和 FR 的正系数表明，要提高化合物的活性，需要在苯磺酰基的对位上添加疏水性且具有 σ 夺电子性的取代基 R。此外，还有人认为，长而宽适中的取代基 R 更有利于提高活性。πX、Y、W-COOH 和 ΣQ(1)-(6)的正系数可能表明，在苯氧基乙酸分子的苯环上引入疏水和吸电子基团可提高活性。W-COOH 分子的长度可能也很重要。另一方面，亚甲基（n=1）的存在所产生的影响并不明显。

  DOI：

  10.1248/cpb.43.1132

文献信息

• [EN] SULFONAMIDE SUBSTITUTED XANTHINE DERIVATIVES FOR USE AS PEPCK INHIBITORS<br/>[FR] DERIVES DE XANTHINE SUBSTITUES PAR DES SULFONAMIDES ET UTILES COMME INHIBITEURS DE PEPCK
  申请人：HOFFMANN LA ROCHE

  公开号：WO2004074288A1

  公开（公告）日：2004-09-02

  The present invention is concerned with sulfonamide substituted xanthine derivatives of formula (I) or a pharmaceutically acceptable salts or prodrugs thereof, wherein R1, R2 and R3 are as defined in the specification. Compounds of formula (I) and pharmaceutically acceptable salts or prodrugs thereof show activity as modulators of gluconeogenesis.

  本发明涉及式(I)的磺酰胺取代的黄嘌呤衍生物或其药用可接受的盐或前药，其中R1、R2和R3如说明书中所定义。式(I)的化合物及其药用可接受的盐或前药作为糖异生调节剂显示出活性。
• [EN] ROR GAMMA (RORY) MODULATORS<br/>[FR] MODULATEURS DU ROR GAMMA (RORY)
  申请人：LEAD PHARMA CEL MODELS IP B V

  公开号：WO2015082533A1

  公开（公告）日：2015-06-11

  The present invention relates to compounds according to Formula I: Wherein: A11 - A14 are N or CR11, CR12, CR13, CR14, respectively, with the proviso that no more than two of the four positions A can be simultaneously N; R1 is C(1-6)alkyl, C(3-6)cycloalkyl, C(3-6)cycloalkylC(1 -3)alkyl, (di)C(1-6)alkylamino, (di)C(3-6)cycloalkylamino or (di)(C(3-6)cycloalkylC(1 -3)alkyl)amino, with all carbon atoms of alkyl groups optionally substituted with one or more F and all carbon atoms of cycloalkyl groups optionally substituted with one or more F or methyl; R2 and R3 are independently H, F, methyl, ethyl, hydroxy, methoxy or R2 and R3 together is carbonyl, all alkyl groups, if present, optionally being substituted with one or more F; R4 is H or C(1-6)alkyl; R5 is H, hydroxyethyl, methoxyethyl, C(1-6)alkyl, C(6-10)aryl, C(6-10)arylC(1-3)alkyl, C(1 -9)heteroaryl, C(1-9)heteroarylC(1-3)alkyl, C(3-6)cycloalkyl, C(3-6)cycloalkylC(1 -3)alkyl, C(2-5)heterocycloalkyl or C(2-5)heterocycloalkylC(1-3)alkyl, all groups optionally substituted with one or more F, CI, C(1-2)alkyl, C(1-2)alkoxy or cyano; the sulfonyl group with R1 is represented by one of R7, R8 or R9; the remaining R6-RH are independently H, halogen, C(1-3)alkoxy, (di)C(1-3)alkylamino or C(1-6)alkyl, all of the alkyl groups optionally being substituted with one or more F; and Ri5 and Ri6 are independently H, C(1-6)alkyl, C(3-6)cycloalkyl, C(3-6)cycloalkylC(1-3)alkyl, C(6-10)aryl, C(6-10)arylC(1-3)alkyl, C(1-9)heteroaryl, C(1-9)heteroarylC(1-3)alkyl, C(2-5)heterocycloalkyl or C(2-5)heterocycloalkylC(1-3)alkyl, all groups optionally substituted with one or more F, CI, C(1-2)alkyl, C(1-2)alkoxy or cyano. The compounds can be used as inhibitors of RORy and are useful for the treatment of RORy mediated diseases.

  本发明涉及符合以下式I的化合物：其中：A11 - A14分别为N或CR11，CR12，CR13，CR14，但四个位置A中不超过两个可以同时为N；R1为C(1-6)烷基，C(3-6)环烷基，C(3-6)环烷基C(1-3)烷基，(双)C(1-6)烷基氨基，(双)C(3-6)环烷基氨基或(双)(C(3-6)环烷基C(1-3)烷基)氨基，烷基族的所有碳原子可选择性地被一个或多个F取代，环烷基族的所有碳原子可选择性地被一个或多个F或甲基取代；R2和R3独立地为H，F，甲基，乙基，羟基，甲氧基或R2和R3一起为羰基，所有烷基族（如果存在）可选择性地被一个或多个F取代；R4为H或C(1-6)烷基；R5为H，羟乙基，甲氧乙基，C(1-6)烷基，C(6-10)芳基，C(6-10)芳基C(1-3)烷基，C(1-9)杂环芳基，C(1-9)杂环芳基C(1-3)烷基，C(3-6)环烷基，C(3-6)环烷基C(1-3)烷基，C(2-5)杂环烷基或C(2-5)杂环烷基C(1-3)烷基，所有基团可选择性地被一个或多个F，CI，C(1-2)烷基，C(1-2)烷氧基或氰取代；与R1相连的磺酰基由R7，R8或R9之一表示；其余的R6-RH独立地为H，卤素，C(1-3)烷氧基，(双)C(1-3)烷基氨基或C(1-6)烷基，所有烷基族可选择性地被一个或多个F取代；Ri5和Ri6独立地为H，C(1-6)烷基，C(3-6)环烷基，C(3-6)环烷基C(1-3)烷基，C(6-10)芳基，C(6-10)芳基C(1-3)烷基，C(1-9)杂环芳基，C(1-9)杂环芳基C(1-3)烷基，C(2-5)杂环烷基或C(2-5)杂环烷基C(1-3)烷基，所有基团可选择性地被一个或多个F，CI，C(1-2)烷基，C(1-2)烷氧基或氰取代。这些化合物可用作RORγ的抑制剂，并且对于治疗RORγ介导的疾病是有用的。
• Sulfonamide derivatives
  申请人：Taisho Pharmaceutical Co., Ltd.

  公开号：US05189211A1

  公开（公告）日：1993-02-23

  A sulfonamide derivative represented by the Formula: ##STR1## wherein A, B, X, Y, R, m and n are as defined in the specification, and a salt thereof have thromboxane A.sub.2 antagonism, therefore they are useful, for example, as blood platelet aggregation inhibiting agents.

  一种由以下式表示的磺胺衍生物：##STR1## 其中A、B、X、Y、R、m和n如规范中所定义，并且其盐具有血栓素A.sub.2拮抗作用，因此它们可用作例如血小板聚集抑制剂。
• Glutamic acid receptor agonist
  申请人：Nippon Suisan Kaisha, Ltd.

  公开号：US05955505A1

  公开（公告）日：1999-09-21

  A method comprising administering a sulfonamide derivative to a patient requiring activation of glutamate receptors, the sulfonamide derivative represented by the formula ##STR1## wherein A is a napthyl group, a pyridyl group, a phenyl group, a phenyl group substituted by 1 to 5 members selected from the group consisting of a halogen atom, an alkyl group having 1 to 40 carbon atoms, an alkoxy group having 1 to 4 carbon atoms, a nitro group, and an acetamido group, or an alkyl group having 1 to 20 carbon atoms; B is an alkylene group having 1 to 3 carbon atoms, a group of --OCH.sub.2 -- or a group of --CH.dbd.CH--; X and Y are the same or different, and are each a hydrogen atom or a fluorine atom; R is a carboxy group, an alkoxycarbonyl group having 2 to 5 carbon atoms, a hydroxymethyl group or a group of ##STR2## wherein R.sub.1 is a hydrogen atom or an alkyl group having 1 to 3 carbon atoms; and R.sub.2 is a hydrogen atom, a hydroxyl group, an alkyl group having 1 to 3 carbon atoms, a carboxymethyl group or an alkoxycarbonylmethyl group having 3 to 6 carbon atoms; m is an integer from 0 to 2; and n is an integer from 0 to 3, or an pharmaceutically acceptable salt thereof, as an effective ingredient. The agonist is efficacious in the medical treatment of nerve degenerative disorders.

  一种方法包括向需要激活谷氨酸受体的患者施用磺胺衍生物，所述磺胺衍生物由以下式表示：其中A为萘基、吡啶基、苯基、被1至5个成员选自卤原子、具有1至40个碳原子的烷基、具有1至4个碳原子的烷氧基、硝基和乙酰氨基的苯基取代的苯基，或者具有1至20个碳原子的烷基；B为具有1至3个碳原子的烷基、--OCH.sub.2--基团或--CH.dbd.CH--基团；X和Y相同或不同，分别为氢原子或氟原子；R为羧基、具有2至5个碳原子的烷氧羰基、羟甲基基团或##STR2##基团，其中R.sub.1为氢原子或具有1至3个碳原子的烷基；R.sub.2为氢原子、羟基、具有1至3个碳原子的烷基、羧甲基基团或具有3至6个碳原子的烷氧羰基甲基基团；m为0至2的整数；n为0至3的整数，或其药学上可接受的盐，作为有效成分。该激动剂在神经退行性疾病的医疗治疗中具有疗效。
• [EN] ROR-GAMMA MODULATORS AND USES THEREOF<br/>[FR] MODULATEURS DE ROR-GAMMA ET LEURS UTILISATIONS
  申请人：PIRAMAL ENTPR LTD

  公开号：WO2015145371A1

  公开（公告）日：2015-10-01

  The present invention relates to a compound of formula I, or an isotopic form, stereoisomer, a tautomer, a pharmaceutically acceptable salt, a solvate, a polymorph, a prodrug, N-oxide or S-oxide thereof; and processes for their preparation. The invention further relates to pharmaceutical compositions containing the compounds and their use in the treatment of diseases or disorders mediated by RORγ.

  本发明涉及公式I的化合物，或其同位素形式、立体异构体、互变异构体、药学上可接受的盐、溶剂合物、多晶形式、前药、N-氧化物或S-氧化物；以及它们的制备方法。该发明还涉及含有这些化合物的药物组合物，以及它们在治疗由RORγ介导的疾病或紊乱中的用途。