E-3-[3-[N-(4-methoxybenzenesulfonyl)-N-isopropylamino]phenyl]-3-(3-pyridyl N-oxide)propenohydroxamic acid | 402949-22-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: E-3-[3-[N-(4-methoxybenzenesulfonyl)-N-isopropylamino]phenyl]-3-(3-pyridyl N-oxide)propenohydroxamic acid
• 英文别名: (E)-N-hydroxy-3-[3-[(4-methoxyphenyl)sulfonyl-propan-2-ylamino]phenyl]-3-(1-oxidopyridin-1-ium-3-yl)prop-2-enamide
• CAS: 402949-22-8
• 化学式: C₂₄H₂₅N₃O₆S
• 分子量: 483.545
• InChiKey: YFTPSHKPAYKEPA-HZHRSRAPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  130
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  1-ethyl-3-(3-dimethylaminopropyi)carbodiimide hydrochloride 、 chloroform-tetrahydrofuran 、 ethyl E,Z-3-[3-[N-(4-methoxybenzenesulfonyl)-N-isopropylamino]phenyl]-3-(3-pyridyl N-oxide)propenoate 、 O-(叔丁基二甲基硅烷)羟胺 、 1-羟基苯并三唑 生成 E-3-[3-[N-(4-methoxybenzenesulfonyl)-N-isopropylamino]phenyl]-3-(3-pyridyl N-oxide)propenohydroxamic acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• NOVEL PROPENOHYDROXAMIC ACID DERIVATIVES
  申请人：WAKUNAGA PHARMACEUTICAL CO., LTD.

  公开号：EP1314721A1

  公开（公告）日：2003-05-28

  Provided are a propenohydroxamic acid derivative represented by the following formula (1): [wherein, R1 represents a hydrogen atom, an alkyl group or a halogen atom, R2 represents a cycloalkyl group, a substituted or unsubstituted aryl group or a substituted or unsubstituted heteroaryl group, R3 represents a hydrogen atom or a halogen atom, R4 represents a hydrogen atom, a substituted or unsubstituted alkyl group or a substituted or unsubstituted alkenyl group, R5 represents R6CO-, R6SO2-, R6NRCO- or R6NHCS- (in which, R6 represents a substituted or unsubstituted alkyl or cycloalkyl group, a cyclic amino group, a substituted or unsubstituted aryl group or a substituted or unsubstituted heteroaryl group), R7 represents a hydrogen atom or a protecting group and A represents CH, a nitrogen atom or an oxidized nitrogen atom], or salt thereof; and a medicament containing the propenohydroxamic acid derivative or salt thereof. The compound (1) or salt thereof has excellent TACE inhibitory activity and is therefore useful as a medicament for preventing and/or treating diseases such as septicemia, rheumatoid arthritis, osteoarthritis, infectious diseases, autoimmune diseases, malignant neoplasm, collagenosis, chronic ulcerative colitis, MOF and insulin-independent diabetes.

  提供的是以下式（1）所表示的丙烯羟羟肟酸衍生物：[其中，R1代表氢原子、烷基或卤素原子，R2代表环烷基、取代或未取代芳基或取代或未取代杂环芳基，R3代表氢原子或卤素原子，R4代表氢原子、取代或未取代烷基或取代或未取代烯基，R5代表R6CO-、R6SO2-、R6NRCO-或R6NHCS-（其中，R6代表取代或未取代烷基或环烷基、环氨基、取代或未取代芳基或取代或未取代杂环芳基），R7代表氢原子或保护基，A代表CH、氮原子或氧化氮原子]，或其盐；以及含有该丙烯羟羟肟酸衍生物或其盐的药物。该化合物（1）或其盐具有优异的TACE抑制活性，因此可用作预防和/或治疗败血症、类风湿关节炎、骨关节炎、传染病、自身免疫疾病、恶性肿瘤、结缔组织病、慢性溃疡性结肠炎、多器官功能障碍综合征和胰岛素非依赖性糖尿病等疾病的药物。
• Novel propenohydroxamic acid derivatives
  申请人：——

  公开号：US20040029928A1

  公开（公告）日：2004-02-12

  Provided are a propenohydroxamic acid derivative represented by the following formula (1): 1 [wherein, R 1 represents a hydrogen atom, an alkyl group or a halogen atom, R 2 represents a cycloalkyl group, a substituted or unsubstituted aryl group or a substituted or unsubstituted heteroaryl group, R 3 represents a hydrogen atom or a halogen atom, R 4 represents a hydrogen atom, a substituted or unsubstituted alkyl group or a substituted or unsubstituted alkenyl group, R 5 represents R 6 CO—, R 6 SO 2 —, R 6 NHCO— or R 6 NHCS— (in which, R 6 represents a substituted or unsubstituted alkyl or cycloalkyl group, a cyclic amino group, a substituted or unsubstituted aryl group or a substituted or unsubstituted heteroaryl group), R 7 represents a hydrogen atom or a protecting group and A represents CH, a nitrogen atom or an oxidized nitrogen atom], or salt thereof; and a medicament containing the propenohydroxamic acid derivative or salt thereof. The compound (1) or salt thereof has excellent TACE inhibitory activity and is therefore useful as a medicament for preventing and/or treating diseases such as septicemia, rheumatoid arthritis, osteoarthritis, infectious diseases, autoimmune diseases, malignant neoplasm, collagenosis, chronic ulcerative colitis, MOF and insulin-independent diabetes.

  提供了一种由以下式（1）表示的丙烯羟肟酸衍生物：1 [其中，R1表示氢原子，烷基或卤素原子，R2表示环烷基，取代或未取代芳基或取代或未取代杂芳基，R3表示氢原子或卤素原子，R4表示氢原子，取代或未取代烷基或取代或未取代烯基，R5表示R6CO—，R6SO2—，R6NHCO—或R6NHCS—（其中，R6表示取代或未取代的烷基或环烷基，环氨基，取代或未取代的芳基或取代或未取代的杂芳基），R7表示氢原子或保护基，A表示CH，氮原子或氧化氮原子]，或其盐；以及含有丙烯羟肟酸衍生物或其盐的药物。化合物（1）或其盐具有优异的TACE抑制活性，因此可用作预防和/或治疗败血症、类风湿性关节炎、骨关节炎、感染性疾病、自身免疫性疾病、恶性肿瘤、结缔组织病、慢性溃疡性结肠炎、MOF和非胰岛素依赖性糖尿病等疾病的药物。