N-benzoyl-4-formylbenzenesulfonamide | 179056-87-2

• 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: N-benzoyl-4-formylbenzenesulfonamide
• 英文别名: N-(4-formylphenyl)sulfonylbenzamide
• CAS: 179056-87-2
• 化学式: C₁₄H₁₁NO₄S
• 分子量: 289.312
• InChiKey: SKQASSPNCJWUHL-UHFFFAOYSA-N

物化性质

• 密度：
  1.370±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  88.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  N-benzoyl-4-formylbenzenesulfonamide 在 sodium tetrahydroborate 作用下， 以 乙醇 为溶剂， 生成 N-[4-[(cycloheptylamino)methyl]phenyl]sulfonylbenzamide
  参考文献：
  名称：

  Inhibitors of acyl-CoA: cholesterol O-acyltransferase (ACAT). Part 1: Identification and structure-activity relationships of a novel series of substituted N-alkyl-N-biphenylylmethyl-N′-arylureas

  摘要：

  A series of N-alkyl-N-biphenylylmethyl-N'-arylurea and related derivatives represented by 1 have been prepared and evaluated for their ability to inhibit acyl-CoA:cholesterol O-acyltransferase in vitro and to lower plasma cholesterol levels in cholesterol-fed rats in vivo. Linking of two phenyl groups via oxygen and introduction of fluorine at appropriate positions on the biphenyl moiety improved in vitro and in vivo activity, From this series of analogs, compound 40 (FR179254), which had potent in vitro potency (rabbit intestinal microsomes IC50 = 25 nM), showed excellent plasma cholesterol-lowering activity when administered via the diet (ED50 = 0.045 mg/kg). However, the hypocholesterolemic effect of this compound was moderate when dosed by oral gavage in PEG400 as a vehicle (ED50 = 5.3 mg/kg). Modification of the N'-aryl moiety led to the identification of compound 50 (FR182980) which was efficacious in both dosing models (ED50 = 0.034 mg/kg and 0.11 mg/kg, respectively). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(97)10009-8
• 作为产物：
  描述：

  对羧基苯磺酰胺 在 4-二甲氨基吡啶 、 lithium aluminium tetrahydride 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 19.0h， 生成 N-benzoyl-4-formylbenzenesulfonamide
  参考文献：
  名称：

  Inhibitors of acyl-CoA: cholesterol O-acyltransferase (ACAT). Part 1: Identification and structure-activity relationships of a novel series of substituted N-alkyl-N-biphenylylmethyl-N′-arylureas

  摘要：

  A series of N-alkyl-N-biphenylylmethyl-N'-arylurea and related derivatives represented by 1 have been prepared and evaluated for their ability to inhibit acyl-CoA:cholesterol O-acyltransferase in vitro and to lower plasma cholesterol levels in cholesterol-fed rats in vivo. Linking of two phenyl groups via oxygen and introduction of fluorine at appropriate positions on the biphenyl moiety improved in vitro and in vivo activity, From this series of analogs, compound 40 (FR179254), which had potent in vitro potency (rabbit intestinal microsomes IC50 = 25 nM), showed excellent plasma cholesterol-lowering activity when administered via the diet (ED50 = 0.045 mg/kg). However, the hypocholesterolemic effect of this compound was moderate when dosed by oral gavage in PEG400 as a vehicle (ED50 = 5.3 mg/kg). Modification of the N'-aryl moiety led to the identification of compound 50 (FR182980) which was efficacious in both dosing models (ED50 = 0.034 mg/kg and 0.11 mg/kg, respectively). (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(97)10009-8

文献信息

• [EN] PROCESS FOR PREPARING 4-[[(BENZOYL)AMINO]SULPHONYL]BENZOYL CHLORIDES AND PREPARATION OF ACYLSULPHAMOYLBENZAMIDES<br/>[FR] PROCÉDÉ DE PRÉPARATION DE CHLORURES DE 4-[[(BENZOYL)AMINO]SULFONYL]BENZOYLE ET D'ACYLSULFAMOYLBENZAMIDES
  申请人：BAYER CROPSCIENCE AG

  公开号：WO2015052156A1

  公开（公告）日：2015-04-16

  Process for preparing 4-[[(benzoyl)amino]sulphonyl]benzoyl chlorides and for preparing acylsulphamoylbenzamides Process for preparing 4-[[(benzoyl)amino]sulphonyl]benzoyl chlorides of the fornnula (II), proceeding from ortho-methoxybenzoic acid compounds of the formula (III) and 4- sulphamoylbenzoic acid compounds of the formula (IV), and processes for preparing the compound (lb), used in agriculture as a safener, cyprosulphamide (A/-[4-(cyclopropylcarbamoyl)phenylsulphonyl]-2- methoxybenzamide).

  制备4-[(苯甲酰)氨基磺酰基]苯甲酰氯和制备酰基磺酰基苯甲酰胺的方法。制备4-[(苯甲酰)氨基磺酰基]苯甲酰氯的步骤如下，从式（III）的邻甲氧基苯甲酸化合物和式（IV）的4-磺酰基苯甲酸化合物出发，以及用于农业中作为安全剂的化合物（lb）的制备方法，这种化合物是环丙基磺酰胺（A/-[4-(环丙基氨甲酰)苯基磺酰]-2-甲氧基苯甲酰）。
• Substituted 3-amino-thieno [2,3-b]pyridine-2-carboxylic acid amide compounds and processes for preparing and their uses
  申请人：Boehringer Ingelheim Pharmaceuticals, Inc.

  公开号：US20040180922A1

  公开（公告）日：2004-09-16

  Disclosed are compounds of formula (I): 1 wherein R 1 and R 2 are defined herein, which are useful as inhibitors of the kinase activity of the I&kgr;B kinase (IKK) complex. The compounds are therefore useful in the treatment of IKK mediated diseases including autoimmune diseases inflammatory diseases and cancer. Also disclosed are pharmaceutical compositions comprising these compounds and processes for preparing these compounds.

  本发明涉及式(I)的化合物：其中R1和R2在此定义，这些化合物可用作I&kgr;B激酶（IKK）复合物的抑制剂。因此，这些化合物可用于治疗由IKK介导的疾病，包括自身免疫性疾病、炎症性疾病和癌症。本发明还涉及包含这些化合物的制药组合物和制备这些化合物的方法。
• UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS
  申请人：FUJISAWA PHARMACEUTICAL CO., LTD.

  公开号：EP0784612A1

  公开（公告）日：1997-07-23
• PROCESS FOR PREPARING 4-[[(BENZOYL)AMINO]SULPHONYL]BENZOYL CHLORIDES AND PREPARATION OF ACYLSULPHAMOYLBENZAMIDES
  申请人：Bayer CropScience Aktiengesellschaft

  公开号：EP3055292A1

  公开（公告）日：2016-08-17
• EP3055292B1
  申请人：——

  公开号：EP3055292B1

  公开（公告）日：2017-08-16