3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-N,N-dimethyl-4-(phenylthio)butanamide | 406236-09-7

• 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: 3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-N,N-dimethyl-4-(phenylthio)butanamide
• 英文别名: Butanamide, 3-[[4-(aminosulfonyl)-2-nitrophenyl]amino]-N,N-dimethyl-4-(phenylthio)-, (3R)-；N,N-dimethyl-3-(2-nitro-4-sulfamoylanilino)-4-phenylsulfanylbutanamide
• CAS: 406236-09-7
• 化学式: C₁₈H₂₂N₄O₅S₂
• 分子量: 438.528
• InChiKey: NJSXMAOXQKJWCR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  172
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-N,N-dimethyl-4-(phenylthio)butanamide 以99的产率得到4-((3-(dimethylamino)-1-((phenylthio)methyl)propyl)amino)-3-nitrobenzenesulfonamide
  参考文献：
  名称：

  J. Med. Chem. 2007, 50, 641-662

  摘要：

  DOI：
• 作为产物：
  描述：

  (R)-3-(2-nitro-4-sulfamoylphenylamino)-4-phenylsulfanylbutyric acid tert-butyl ester 以56的产率得到3-((4-(aminosulfonyl)-2-nitrophenyl)amino)-N,N-dimethyl-4-(phenylthio)butanamide
  参考文献：
  名称：

  J. Med. Chem. 2007, 50, 641-662

  摘要：

  DOI：

文献信息

• N-acylsulfonamide apoptosis promoters
  申请人：——

  公开号：US20020055631A1

  公开（公告）日：2002-05-09

  N-Benzoyl arylsulfonamides having the formula 1 are BCL-Xl inhibitors and are useful for promoting apoptosis. Also disclosed are BCL-Xl inhibiting compositions and methods of promoting apoptosis in a mammal.

  N-苯甲酰芳基磺胺酰胺具有以下化学式，是BCL-Xl抑制剂，有助于促进细胞凋亡。还公开了BCL-Xl抑制组合物和在哺乳动物中促进细胞凋亡的方法。
• N-Acylsulfonamide apoptosis promoters
  申请人：——

  公开号：US20020086887A1

  公开（公告）日：2002-07-04

  N-Benzoyl arylsulfonamides having the formula 1 Are BCL-X1 inhibitors and are useful for promoting apoptosis. Also disclosed are BCL-X1 inhibiting compositions and methods of promoting apoptosis in a mammal.

  N-苯甲酰芳基磺胺酰胺具有以下化学式，是BCL-X1抑制剂，有助于促进细胞凋亡。还公开了BCL-X1抑制组合物和在哺乳动物中促进细胞凋亡的方法。
• [EN] APOPTOSIS-INDUCING AGENTS<br/>[FR] AGENTS INDUISANT L'APOPTOSE
  申请人：ABBVIE INC

  公开号：WO2014028381A1

  公开（公告）日：2014-02-20

  Disclosed are compounds which inhibit the activity of anti-apoptotic Bcl-xL proteins, compositions containing the compounds and methods of treating diseases during which is expressed anti apoptotic Bcl-xL protein.

  本文披露了抑制抗凋亡Bcl-xL蛋白活性的化合物，含有这些化合物的组合物以及治疗在其中表达抗凋亡Bcl-xL蛋白的疾病的方法。
• Multi-Functional Small Molecules as Anti-Proliferative Agents
  申请人：Cai Xiong

  公开号：US20080221132A1

  公开（公告）日：2008-09-11

  The present invention relates to the compositions, methods, and applications of a novel approach to selective inhibition of several cellular or molecular targets with a single small molecule. More specifically, the present invention relates to multi-functional small molecules wherein one functionality is capable of inhibiting histone deacetylases (HDAC) and the other functionality is capable of inhibiting a different cellular or molecular pathway involved in aberrant cell proliferation, differentiation or survival.

  本发明涉及一种新型选择性抑制多种细胞或分子靶点的组合物、方法和应用。更具体地说，本发明涉及多功能小分子，其中一种功能能够抑制组蛋白去乙酰化酶（HDAC），另一种功能能够抑制与异常细胞增殖、分化或存活有关的不同细胞或分子途径。
• ARYLSULFONAMIDE COMPOUNDS
  申请人：Baell Jonathan Bayldon

  公开号：US20100056517A1

  公开（公告）日：2010-03-04

  The invention relates generally to small molecules that mimic the biological activity of certain peptides and proteins, to compositions containing them and to their use. In particular, the invention relates to compounds of the general formula (I) that mimic the biological activity of BH3-only proteins and are capable of binding to and neutralizing pro-survival Bcl-2 proteins: wherein A 1 , A 2 , B 1 , B 2 , B 3 , X, Z, R 1 , R 2 , R 3 and t are as described herein. The invention also relates to processes of preparing the benzenesulfonamide compounds that mimic portions of peptides and proteins, and to the use of such compounds in the regulation of cell death and the treatment and/or prophylaxis of diseases or conditions associated with the deregulation of cell death.

  本发明涉及一般性地模拟某些肽和蛋白质的生物活性的小分子，包括含有它们的组合物以及它们的用途。特别地，本发明涉及一般式（I）的化合物，它们模拟BH3-仅有蛋白质的生物活性，并且能够结合和中和前生存的Bcl-2蛋白质：其中A1、A2、B1、B2、B3、X、Z、R1、R2、R3和t如本文所述。本发明还涉及制备模拟肽和蛋白质部分的苯磺酰胺化合物的过程，以及在调节细胞死亡和治疗和/或预防与细胞死亡失调相关的疾病或状况中使用这些化合物的用途。