5-(3,5-di-tert-butylphenyl)-2-methyl-1-(piperidin-1-ylsulfonyl)-1H-pyrrole-3-sulfonamide | 1402889-82-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: 5-(3,5-di-tert-butylphenyl)-2-methyl-1-(piperidin-1-ylsulfonyl)-1H-pyrrole-3-sulfonamide
• 英文别名: 5-(3,5-Di-tert-butylphenyl)-2-methyl-1-(piperidin-1-ylsulfonyl)-1H-pyrrole-3-sulfonamide；5-(3,5-ditert-butylphenyl)-2-methyl-1-piperidin-1-ylsulfonylpyrrole-3-sulfonamide
• CAS: 1402889-82-0
• 化学式: C₂₄H₃₇N₃O₄S₂
• 分子量: 495.707
• InChiKey: MPHXHSYLPOWZRL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.1
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.58
• 拓扑面积：
  119
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  哌啶-1-磺酰氯 在 四(三苯基膦)钯 氯磺酸 、 N-溴代丁二酰亚胺(NBS) 、 氨 、 水 、 sodium hydride 、 sodium carbonate 、 三氟乙酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 二氯甲烷 、 水 、 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 55.0h， 生成 5-(3,5-di-tert-butylphenyl)-2-methyl-1-(piperidin-1-ylsulfonyl)-1H-pyrrole-3-sulfonamide
  参考文献：
  名称：

  [EN] PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES
  [FR] COMPOSÉS PYRROLOSULFONAMIDES POUR LA MODULATION DE L'ACTIVITÉ DU RÉCEPTEUR ORPHELIN GAMMA APPARENTÉ AU RÉCEPTEUR NUCLÉAIRE ORPHELIN RAR (ROR-GAMMA, NR1F3) ET POUR LE TRAITEMENT DE MALADIES INFLAMMATOIRES CHRONIQUES ET AUTO-IMMUNES

  摘要：

  本发明提供了针对孤儿核受体RORγ的调节剂，以及通过向需要的人类或哺乳动物施用这些新型的RORγ调节剂来治疗RORγ介导的疾病的方法。具体而言，本发明提供了式(1)的吡咯磺酰胺化合物及其对映体、非对映体、互变异构体、溶剂化物和药用可接受的盐。

  公开号：

  WO2012139775A1

文献信息

• Pyrrolo sulfonamide compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-gamma (RORgamma, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases
  申请人：Phenex Pharmaceuticals AG

  公开号：EP2511263A1

  公开（公告）日：2012-10-17

  The invention provides modulators for the orphan nuclear receptor RORγ and methods for treating RORγ mediated diseases by administrating these novel RORγ modulators to a human or a mammal in need thereof. Specifically, the present invention provides pyrrolo sulfonamide compounds of Formula (1) and the enantiomers, diastereomers, tautomers, solvates and pharmaceutically acceptable salts thereof.

  本发明提供了针对孤儿核受体RORγ的调节剂，以及通过向需要的人类或哺乳动物施用这些新型RORγ调节剂来治疗RORγ介导的疾病的方法。具体而言，本发明提供了式(1)的吡咯磺酰胺化合物及其对映体、非对映体、互变异构体、溶剂化物和药用可接受的盐。
• Pyrrolo sulfonamide compounds for modulation of orphan nuclear receptor RAR-related orphan receptor-γ (ROR-γ, NR1F3) activity and for the treatment of chronic inflammatory and autoimmune diseases
  申请人：Steeneck Christoph

  公开号：US08946446B2

  公开（公告）日：2015-02-03

  The invention provides modulators for the orphan nuclear receptor RORy and methods for treating RORy mediated diseases by administrating these novel RORy modulators to a human or a mammal in need thereof. Specifically, the present invention provides pyrrolo sulfonamide compounds of Formula (1) and the enantiomers, diastereomers, tautomers, solvates and pharmaceutically acceptable salts thereof.

  本发明提供了RORy孤儿核受体的调节剂，并通过向需要该药的人类或哺乳动物施用这些新型RORy调节剂来治疗RORy介导的疾病的方法。具体而言，本发明提供了式（1）及其对映体、二对映体、互变异构体、溶剂化物和药学上可接受的盐的吡咯磺酰胺化合物。
• PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (ROR-GAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES
  申请人：Steeneck Christoph

  公开号：US20140142082A1

  公开（公告）日：2014-05-22

  The invention provides modulators for the orphan nuclear receptor RORy and methods for treating RORy mediated diseases by administrating these novel RORy modulators to a human or a mammal in need thereof. Specifically, the present invention provides pyrrolo sulfonamide compounds of Formula (1) and the enantiomers, diastereomers, tautomers, solvates and pharmaceutically acceptable salts thereof.

  该发明提供了调节孤儿核受体RORy的调节剂，并通过向需要治疗RORy介导疾病的人类或哺乳动物施用这些新型RORy调节剂的方法进行治疗。具体而言，本发明提供了化合物1的吡咯磺酰胺化合物及其对映体，异构体，互变异构体，溶剂化物和药学上可接受的盐。
• PYRROLO SULFONAMIDE COMPOUNDS FOR MODULATION OF ORPHAN NUCLEAR RECEPTOR RAR-RELATED ORPHAN RECEPTOR-GAMMA (RORGAMMA, NR1F3) ACTIVITY AND FOR THE TREATMENT OF CHRONIC INFLAMMATORY AND AUTOIMMUNE DISEASES
  申请人：Phenex Pharmaceuticals AG

  公开号：EP2697197B1

  公开（公告）日：2015-06-03
• RUBBER MIXTURES CONTAINING SILICIC ACID AND SULFUR-CONTAINING ADDITIVES
  申请人：Wiedemeier Melanie

  公开号：US20140142227A1

  公开（公告）日：2014-05-22

  The present invention relates to silica-containing rubber mixture produced from at least one rubber, from a sulphur-containing alkoxysilane, from a crosslinking agent, from a filler, and optionally from further rubber auxiliaries, where the said mixture comprises from 0.1 to 15 parts by weight, based on 100 parts by weight of rubber used, of a silicon-free polysulphide additive of the formula (I) A-S—(S) x —S—Y—S—(S) x —S-A  (I) where x is 0, 1 or 2, Y is an optionally substituted or heteroatom-containing aliphatic, cycloaliphatic or aromatic group and A is a moiety where R 1 to R 2 are identical or different and are hydrogen, C 1 -C 6 -alkyl, C 5 -C 6 -cycloalkyl, C 6 -C 10 -aryl or a group —CH 2 —OR 5 , —CH 2 —CH 2 —OR 5 , —NHR 5 , —COR 5 , —COOR 5 , —CH 2 COOR 5 , where R 5 =hydrogen, C 1 -C 6 -alkyl, C 5 -C 6 -cycloalkyl, C 6 -C 10 -aryl or C 1 -C 6 -acyl, or A is a moiety in which R 1 and R 2 are identical or different and are hydrogen, C 1 -C 6 -alkyl, C 5 -C 5 -cycloalkyl, C 6 -C 10 -aryl or a group —CH 2 —OR 5 , —CH 2 —CH 2 —OR 5 , —NHR 5 , —COR 5 , —COOR 5 , —CH 2 COOR 5 , where R 5 =hydrogen, C 1 -C 6 -alkyl, C 5 -C 6 -cycloalkyl, C 6 -C 10 -aryl or C 1 -C 6 -acyl, or A is a moiety in which R 1 to R 2 are identical or different and hydrogen, C 1 -C 6 -alkyl, C 5 -C 6 -cycloalkyl, C 6 -C 10 -aryl or a group —CH 2 —OR 5 , —CH 2 —CH 2 —OR 5 , —NHR 5 , —COR 5 , —COOR 5 , —CH 2 COOR 5 , where R 5 =hydrogen, C 1 -C 6 -alkyl, C 5 -C 6 -cycloalkyl, C 6 -C 10 -aryl or C 1 -C 6 -acyl, and R 6 is hydrogen, C 1 -C 6 -alkyl, C 5 -C 6 -cycloalkyl, C 6 -C 10 -aryl or a group —CH 2 —OR 5 , —CH 2 —CH 2 —OR 5 , —NHR 5 , —COR 5 , —COOR 5 , —CH 2 COOR 5 , where R 5 =hydrogen, C 1 -C 6 -alkyl, C 5 -C 6 -cycloalkyl, C 6 -C 10 -aryl or C 1 -C 6 -acyl and y is 0, 1 or 2.