N-{3-[(三氟甲基)磺酰基]苯基}-4-哌啶胺 | 387350-88-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: N-{3-[(三氟甲基)磺酰基]苯基}-4-哌啶胺
• 英文名称: N-{3-[(trifluoromethyl)sulfonyl]phenyl}piperidine-4-amine
• 英文别名: N-(3-((Trifluoromethyl)sulfonyl)phenyl)piperidin-4-amine；N-[3-(trifluoromethylsulfonyl)phenyl]piperidin-4-amine
• CAS: 387350-88-1
• 化学式: C₁₂H₁₅F₃N₂O₂S
• 分子量: 308.325
• InChiKey: ROFHAFYHOWVRTC-UHFFFAOYSA-N

物化性质

• 熔点：
  124～126℃

计算性质

• 辛醇/水分配系数(LogP)：
  2.5
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  66.6
• 氢给体数：
  2
• 氢受体数：
  7

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-Hydroxy-4-{[(R)-2-(4-methoxy-phenyl)-5,5-dimethyl-[1,3]dioxane-4-carbonyl]-amino}-butyric acid 、 N-{3-[(三氟甲基)磺酰基]苯基}-4-哌啶胺 生成 (R)-2-(4-Methoxy-phenyl)-5,5-dimethyl-[1,3]dioxane-4-carboxylic acid{3-hydroxy-4-oxo-4-[4-(3-trifluoromethanesulfonyl-phenylamino)-piperidin-1-yl]-butyl}-amide
  参考文献：
  名称：

  ALPHA HYDROXY AMIDES

  摘要：

  本发明涉及α-羟基酰胺，包括公式I和相关化合物，并其在预防和治疗炎症性疾病和疾病中的使用，其中：T1代表以下其中之一的基团：T2-W代表以下其中之一的基团：W代表单键，或从—CHRc—和—CH═CH—中选择的基团；RW代表从H、Hal、线性或支链烷基、Ar、Het、Cyc、—(CH2)nAr、—(CH2)nHet、—(CH2)nCyc、—(CH2)nOAr、—(CH2)nOHet、—(CH2)nOCyc或A中选择的基团。

  公开号：

  US20150250792A1

文献信息

• [EN] PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES<br/>[FR] DERIVES SULFONAMIDES ACTIFS SUR LE PLAN PHARMACOLOGIQUE
  申请人：APPLIED RESEARCH SYSTEMS

  公开号：WO2001023378A1

  公开（公告）日：2001-04-05

  The present invention is related to sulfonamide derivatives of formula (I) notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such sulfonamide derivatives. Said sulfonamide derivatives are efficient modulators of the JNK pathway, they are in particular efficient and selective inhibitors of JNK 2 and 3. The present invention is furthermore related to novel sulfonamide derivatives as well as to methods of their preparation. The compounds of formula (I) according to the present invention being suitable pharmaceutical agents are those wherein Ar?1 and Ar2¿ are independently from each other substituted or unsubstituted aryl or heteroaryl groups, X is O or S, preferably O; R1 is hydrogen or a C¿1?-C6-alkyl group, or R?1¿ forms a substituted or unsubstituted 5-6-membered saturated or unsaturated ring with Ar1; n is an integer from 0 to 5, preferably between 1-3 and most preferred 1; Y within formula (I) is an unsubstituted or a substituted 4-12-membered saturated cyclic or bicyclic alkyl containing at least one nitrogen atom, whereby one nitrogen atom within said ring is forming a bond with the sulfonyl group of formula (I) thus providing a sulfonamide.

  本发明涉及公式（I）的磺酰胺衍生物，特别是作为药物活性化合物的用途，以及包含这种磺酰胺衍生物的制药配方。所述的磺酰胺衍生物是JNK通路的有效调节因子，特别是JNK 2和3的有效且选择性抑制剂。本发明还涉及新的磺酰胺衍生物以及其制备方法。根据本发明的公式（I）化合物适合作为药物代理，其中Ar?1和Ar2¿是独立于彼此的取代或未取代的芳基或杂环芳基基团，X为O或S，优选为O; R1是氢或C¿1?-C6烷基，或R?1¿与Ar1形成取代或未取代的5-6成员饱和或不饱和环；n为0到5的整数，优选为1-3，最优选为1；公式（I）中的Y是未取代或取代的4-12成员饱和环或双环烷基，其中至少有一个氮原子，在该环内与公式（I）的磺酰基形成化学键，从而提供磺酰胺。
• Pharmaceutically active sulfonamide derivatives
  申请人：Merck Serono SA

  公开号：US08012995B1

  公开（公告）日：2011-09-06

  The present invention is related to sulfonamide derivatives of formula (I0 notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such sulfonamide derivatives. Said sulfonamide derivatives are efficient modulators of the JNK pathway, they are in particular efficient and selective inhibitors of JNK 2 and 3. The present invention is furthermore related to novel sulfonamide derivatives as well as to methods of their preparation. The compounds of formula (I) according to the present invention being suitable pharmaceutical agents are those wherein Ar1 and Ar2 are independently from each other substituted or unsubstituted aryl or heteroaryl groups, X is O or S, preferably O; R1 is hydrogen or a C1-C6-alkyl group, or R1 forms a substituted or unsubstituted 5-6 membered saturated or unsaturated ring with Ar1; n is an integer from 0 to 5, preferably between 1-3 and most preferred 1; Y within formula (I) is an unsubstituted or a substituted 4-12-membered saturated cyclic or bicyclic alkyl containing at least one nitrogen atom, whereby one nitrogen atom, whereby one nitrogen atom within said ring is forming a bond with the sulfonyl group of formula (I) thus providing a sulfonamide.

  本发明涉及式（I）的磺酰胺衍生物，特别是作为药物活性化合物的用途，以及含有这种磺酰胺衍生物的制药配方。所述磺酰胺衍生物是JNK途径的有效调节剂，特别是JNK 2和3的有效且选择性抑制剂。本发明还涉及新型磺酰胺衍生物以及其制备方法。本发明所述的适合作为药物剂的式（I）化合物中，Ar1和Ar2分别是取代或未取代的芳基或杂芳基基团，X是O或S，优选为O；R1是氢或C1-C6烷基，或R1与Ar1形成取代或未取代的5-6成员饱和或不饱和环；n是0至5的整数，优选为1-3，最优选为1；式（I）中的Y是未取代或取代的4-12成员饱和环或双环烷基，其中至少含有一个氮原子，其中一个氮原子在所述环中与式（I）的磺酰基形成键，从而提供磺酰胺。
• THIOZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS
  申请人：Adams Nicholas D.

  公开号：US20090215818A1

  公开（公告）日：2009-08-27

  Invented is a method of inhibiting the activity/function of PI3 kinases using thiozolidinedione derivatives. Also invented is a method of treating one or more disease states selected from: autoimmune disorders, inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, allergy, asthma, pancreatitis, multiorgan failure, kidney diseases, platelet aggregation, cancer, sperm motility, transplantation rejection, graft rejection and lung injuries by the administration of thiozolidinedione derivatives.

  发明了一种使用噻唑烷二酮衍生物抑制PI3激酶活性/功能的方法。同时，还发明了一种使用噻唑烷二酮衍生物治疗以下一种或多种疾病状态的方法：自身免疫疾病、炎症性疾病、心血管疾病、神经退行性疾病、过敏、哮喘、胰腺炎、多器官衰竭、肾脏疾病、血小板聚集、癌症、精子运动能力、移植排斥、移植物排斥和肺损伤。
• Pharmaceutically active benzsulfonamide derivatives as inhibitors of JNK proteins
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1193256A1

  公开（公告）日：2002-04-03

  The present invention is related to benzsulfonamide derivatives of formula I notably for use as pharmaceutically active compounds, as well as to pharmaceutical formulations containing such benzsulfonamide derivatives. Said benzsulfonamide derivatives are efficient modulators of the JNK pathway, they are in particular efficient and selective inhibitors of JNK 2 and 3. The present invention is furthermore related to novel benzsulfonamide derivatives as well as to methods of their preparation. The compounds of formula I according to the present invention being suitable pharmaceutical agents are those wherein Ar1 is a substituted or unsubstituted aryl or heteroaryl group; Ar2 is a substituted or unsubstituted phenyl group; X is O or S, preferably O; R1 is hydrogen or a C1-C6-alkyl group, or R1 forms a substituted or unsubstituted 5-6-membered saturated or unsaturated ring with Ar1; n is an integer from 0 to 5, preferably between 1-3 and most preferred 1; Y within formula I is an unsubstituted or a substituted 4-12-membered saturated cyclic or bicyclic alkyl containing at least one nitrogen atom, whereby one nitrogen atom within said ring is forming a bond with the sulfonyl group of formula I thus providing a benzsulfonamide.

  本发明涉及公式I的苯磺酰胺衍生物，特别是作为药物活性化合物的用途，以及含有这些苯磺酰胺衍生物的制药配方。所述苯磺酰胺衍生物是JNK途径的有效调节剂，特别是JNK 2和3的有效和选择性抑制剂。本发明还涉及新的苯磺酰胺衍生物以及其制备方法。根据本发明的公式I化合物适用于药物代理的是：Ar1是取代或未取代的芳基或杂芳基；Ar2是取代或未取代的苯基；X是O或S，优选O；R1是氢或C1-C6-烷基，或R1与Ar1形成取代或未取代的5-6元饱和或不饱和环；n是0到5之间的整数，优选在1-3之间，最优选1；公式I中的Y是未取代或取代的4-12元饱和环或双环烷基，其中至少有一个氮原子，该氮原子在所述环中形成与公式I的磺酰基的键合，从而提供苯磺酰胺。
• PHARMACEUTICALLY ACTIVE SULFONAMIDE DERIVATIVES
  申请人：Applied Research Systems ARS Holding N.V.

  公开号：EP1218374B1

  公开（公告）日：2005-11-16