(2S,3R,6S)-4-[4-(3-chloro-benzyloxy)-benzenesulfonyl]-6-[(ethyl-methyl-amino)-methyl]-2-methyl-morpholine-3-carboxylic acid hydroxyamide | 259132-73-5

• 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: (2S,3R,6S)-4-[4-(3-chloro-benzyloxy)-benzenesulfonyl]-6-[(ethyl-methyl-amino)-methyl]-2-methyl-morpholine-3-carboxylic acid hydroxyamide
• 英文别名: (2S, 3R,6 S)-4-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]-6-[(ethyl-methyl-amino)-methyl]-2-methyl-morpholine-3-carboxylic Acid Hydroxyamide；(2S,3R,6S)-4-[4-[(3-chlorophenyl)methoxy]phenyl]sulfonyl-6-[[ethyl(methyl)amino]methyl]-N-hydroxy-2-methylmorpholine-3-carboxamide
• CAS: 259132-73-5
• 化学式: C₂₃H₃₀ClN₃O₆S
• 分子量: 512.027
• InChiKey: NRUMJPSUBHZVJG-XUEUYAKLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  117
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  (2S,3R,6 S)-4-[4-(3-Chloro-benzyloxy)-phenylsulfanyl]-6-[(ethyl-methyl-amino)-methyl]-2-methyl-morpholine-3-carboxylic Acid Methyl Ester 在 氢氧化钾 、 盐酸羟胺 作用下， 以 甲醇 为溶剂， 以17%的产率得到(2S,3R,6S)-4-[4-(3-chloro-benzyloxy)-benzenesulfonyl]-6-[(ethyl-methyl-amino)-methyl]-2-methyl-morpholine-3-carboxylic acid hydroxyamide
  参考文献：
  名称：

  TACE INHIBITORS

  摘要：

  一种具有以下式1的化合物，其中R1、R2、R3、R4、R5、R6和Q的定义如上所述，在治疗关节炎、癌症和其他涉及重组蛋白酶素（如TNF）异常产生/释放的疾病，以及其他以基质金属蛋白酶酶活性为特征的疾病中有用。此外，本发明的化合物可与标准非甾体类抗炎药（NSAID）、COX-2抑制剂和镇痛药联合治疗，也可与顺铂、多柔比星、顺铂、依托泊苷、紫杉醇、多西他素等细胞毒药物联合使用，用于癌症治疗。

  公开号：

  US20030181441A1

文献信息

• TACE inhibitors
  申请人：McClure F. Kim

  公开号：US20050215549A1

  公开（公告）日：2005-09-29

  A compound of the formula wherein R 1 , R 2 R 3 , R 4 , R 5 , R 6 and Q are as defined above, useful in the treatment of arthritis, cancer, and other diseases involving the dysregulated production/release of reprolysins such as TNF and other diseases characterized by matrix metalloproteinase activity. In addition, the compounds of the present invention may be used in combination therapy with standard non-steroidal anti-inflammatory drugs (NSAID's), COX-2 inhibitors and analgesics, and in combination with cytotoxic drugs such as adriamycin, daunomycin, cis-platinum, etoposide, taxol, taxotere and other alkaloids, such as vincristine, in the treatment of cancer.

  该化合物的化学式为其中R1，R2，R3，R4，R5，R6和Q如上定义，可用于治疗关节炎、癌症和其他涉及重复蛋白酶（如TNF）的失调生产/释放以及其他以基质金属蛋白酶活性为特征的疾病。此外，本发明的化合物可与标准非甾体抗炎药（NSAID's）、COX-2抑制剂和镇痛药一起用于联合治疗，并与顺铂、多柔比星、顺铂、依托泊苷、紫杉醇、多西他赛和其他生物碱（如长春碱）一起用于癌症治疗。
• Combination of an IL-1/18 inhibitor with a TNF inhibitor for the treatment of inflammation
  申请人：Pfizer Inc.

  公开号：US20030143230A1

  公开（公告）日：2003-07-31

  The invention relates to compositions and methods for treating or preventing inflammation, including rheumatoid arthritis (RA). The method comprises administering to mammals in need thereof an effective amount of a composition containing an agent that inhibits IL-1/18 combination with a TNF inhibitor.

  本发明涉及治疗或预防炎症，包括类风湿性关节炎（RA）的组合物和方法。该方法包括向有需要的哺乳动物施用有效量的组合物，该组合物含有抑制 IL-1/18 的制剂与 TNF 抑制剂。
• COMBINATION OF AN IL-1/18 INHIBITOR WITH A TNF INHIBITOR FOR THE TREATMENT OF INFLAMMATION
  申请人：Pfizer Products Inc.

  公开号：EP1487457A1

  公开（公告）日：2004-12-22
• [EN] TACE INHIBITORS<br/>[FR] INHIBITEURS DE L'ENZYME DE CONVERSION DU FACTEUR DE NECROSE TUMORALE ALPHA (TACE)
  申请人：PFIZER PROD INC

  公开号：WO2000009492A1

  公开（公告）日：2000-02-24

  A compound of formula (I), wherein R?1, R2, R3, R4, R5, R6¿ and Q are as defined, useful in the treatment of arthritis, cancer, and other diseases involving the dysregulated production/release of reprolysins such as TNF and other diseases characterized by matrix metalloproteinase activity. In addition, the compounds of the present invention may be used in combination therapy with standard non-steroidal anti-inflammatory drugs (NASAIDs), COX-2 inhibitors and analgesics, and in combination with cytotoxic drugs such as adriamycin, daunomycin, cis-platinum, etoposide, taxol, taxotere and other alkaloids, such as vincristine, in the treatment of cancer.
• [EN] COMBINATION OF AN IL-1/18 INHIBITOR WITH A TNF INHIBITOR FOR THE TREATMENT OF INFLAMMATION<br/>[FR] COMBINAISON D'UN INHIBITEUR D'IL-1/18 AVEC UN INHIBITEUR DE TNF POUR LE TRAITEMENT D'INFLAMMATIONS
  申请人：PFIZER PROD INC

  公开号：WO2003045400A1

  公开（公告）日：2003-06-05

  The invention relates to compositions and methods for treating or preventing inflammation, including rheumatoid arthritis (RA). The method comprises administering to mammals in need thereof an effective amount of a composition containing an agent that inhibits IL-1/18 combination with a TNF inhibitor.