2-(N-Methylsulfamoyl)phenylessigsaeure | 36065-89-1

• 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: 2-(N-Methylsulfamoyl)phenylessigsaeure
• 英文别名: 2-(N-Methyl-sulfamyl)-phenylessigsaeure；(2-methylsulfamoyl-phenyl)-acetic acid；2-[2-(N-Methylsulfamoyl)phenyl]acetic Acid；2-[2-(methylsulfamoyl)phenyl]acetic acid
• CAS: 36065-89-1
• 化学式: C₉H₁₁NO₄S
• 分子量: 229.257
• InChiKey: VXGHWBHTDJQBCP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  15
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  91.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(N-Methylsulfamoyl)phenylessigsaeure 在 对甲苯磺酸 作用下， 以 xylene 为溶剂， 反应 18.0h， 生成 2-methyl-1,1,3-trioxo-1,2,3,4-tetrahydro-1λ⁶-benzo[e][1,2]thiazine-4-carboxylic acid 4-acetyl-anilide
  参考文献：
  名称：

  抗炎3,4-二氢-2-烷基-3-氧代-2H-1,2-苯并噻嗪-4-羧酰胺1,1-二氧化物。

  摘要：

  DOI：

  10.1021/jm00292a022

文献信息

• Kappa agonist compounds and pharmaceutical formulations thereof
  申请人：——

  公开号：US20030144272A1

  公开（公告）日：2003-07-31

  Compounds having kappa opioid agonist activity, compositions containing them and method of using them as analgesics are provided. The compounds of formulae I, II, IIA, III, IIIA, IIIB, IIIB-i, IV and IVA have the structure: 1 2 wherein R 1 , R 2 , R 3 , R 4 ; and X, X 4 , X 5 , X 7 , X 9 ; Y, Z and n are as described in the specification.

  提供具有kappa阿片受体激动剂活性的化合物，含有这些化合物的组合物以及使用它们作为镇痛剂的方法。 具有以下结构的化合物I、II、IIA、III、IIIA、IIIB、IIIB-i、IV和IVA： 1 2 其中 R 1 ，R 2 ，R 3 ，R 4 ；和 X，X 4 ，X 5 ，X 7 ，X 9 ； Y，Z和n如规范中所述。
• [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。
• Kappa agonist compounds, pharmaceutical formulations and method of prevention and treatment of pruritus therewith
  申请人：——

  公开号：US20020013296A1

  公开（公告）日：2002-01-31

  Method for the prevention or treatment of pruritus with anti-pruritic compounds is provided. The compounds of formulae I, II, IIA, III, IIIA, IV and IVA have the structure: 1 wherein R 1 , R 2 , R 3 , R 4 ; and X, X 4 , X 5 , X 7 , X 9 ; Y, Z and n are as described in the specification.

  本发明提供了使用抗瘙痒化合物预防或治疗瘙痒的方法。公式I、II、IIA、III、IIIA、IV和IVA的化合物具有以下结构：其中R1、R2、R3、R4；和X、X4、X5、X7、X9；Y、Z和n如规范中所述。
• New benzothiazines. 4. 1H-2,3-Benzothiazin-4(3H)-one 2,2-dioxide and 2H-1,2-benzothiazin-3(4H)-one 1,1-dioxide nitrogen derivatives with central nervous system activity
  作者：Enrico Sianesi、Riccardo Redaelli、Maria J. Magistretti、Elena Massarani

  DOI：10.1021/jm00268a014

  日期：1973.10
• KAPPA AGONIST COMPOUNDS AND PHARMACEUTICAL FORMULATIONS THEREOF
  申请人：Adolor Corporation

  公开号：EP1112252A1

  公开（公告）日：2001-07-04