2-Methoxy-5-chlorosulfonylbenzaldehyd | 56707-17-6

• 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: 2-Methoxy-5-chlorosulfonylbenzaldehyd
• 英文别名: 2-methoxy-5-chlorosulphonylbenzaldehyde；3-Formyl-4-methoxybenzene-1-sulfonyl chloride；3-formyl-4-methoxybenzenesulfonyl chloride
• CAS: 56707-17-6
• 化学式: C₈H₇ClO₄S
• mdl: MFCD19200269
• 分子量: 234.66
• InChiKey: GVTGQNYTTLKHTK-UHFFFAOYSA-N

物化性质

• 沸点：
  396.7±27.0 °C(Predicted)
• 密度：
  1.450±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  68.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-Methoxy-5-chlorosulfonylbenzaldehyd 以 氯仿 为溶剂， 生成 2-Methoxy-5-sulfamidobenzaldehyd
  参考文献：
  名称：

  Benzenesulphonamide derivatives, preparation thereof and therapeutical uses thereof

  摘要：

  通用公式（I）的苯磺酰胺化合物，其中R1是氢或卤素原子，如氯或氟，或直链或支链C1-4烷基或C1-4烷氧基，R2、R3和R4各自是相同或不同的氢原子或直链、支链或环状C1-4烷基，R1是氢原子或C1-2烷基、C1-2氟烷基或C1-2全氟烷基，以对映体、非对映体异构体或它们的混合物形式提供，包括外消旋混合物，以及其药用可接受的酸盐，用于治疗目的。

  公开号：

  US06214882B1
• 作为产物：
  描述：

  1-(二乙氧基甲基)-2-甲氧基苯 在 氯磺酸 作用下， 反应 5.0h， 以80%的产率得到2-Methoxy-5-chlorosulfonylbenzaldehyd
  参考文献：
  名称：

  The P1 N-isopropyl motif bearing hydroxyethylene dipeptide isostere analogues of aliskiren are in vitro potent inhibitors of the human aspartyl protease renin

  摘要：

  Novel nonpeptide small molecule renin inhibitors bearing an N-isopropyl P-1 motif were designed based on initial lead structures 1 and aliskiren (2). (P-3-P-1)-Benzamide derivatives such as 9a and 34, as well as the corresponding P-1 basic tertiary amine derivatives 10 and 35 were found to display low nanomolar inhibition against human renin in vitro. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.05.128

文献信息

• Benzenesulphonamide derivatives, preparation thereof and therapeutical uses thereof
  申请人：Synthelabo

  公开号：US06214882B1

  公开（公告）日：2001-04-10

  Benzenesulphonamide compounds of general formula (I), wherein R1 is a hydrogen or halogen atom such as chlorine or fluorine, or a straight or branched C1-4 alkyl or C1-4 alkoxy group, each of R2, R3 and R4, which are the same or different, is a hydrogen atom or a straight, branched or cyclic C1-4 alkyl group, and R1 is a hydrogen atom or a C1-2 alkyl, C1-2 fluoroalkyl or C1-2 perfluoroalkyl group, in the form of enantiomers, diastereoisomers or mixtures thereof, including racemic mixtures, as well as pharmaceutically acceptable acid addition salts thereof, are provided for therapeutical use.

  通用公式（I）的苯磺酰胺化合物，其中R1是氢或卤素原子，如氯或氟，或直链或支链C1-4烷基或C1-4烷氧基，R2、R3和R4各自是相同或不同的氢原子或直链、支链或环状C1-4烷基，R1是氢原子或C1-2烷基、C1-2氟烷基或C1-2全氟烷基，以对映体、非对映体异构体或它们的混合物形式提供，包括外消旋混合物，以及其药用可接受的酸盐，用于治疗目的。
• DERIVES DE BENZENESULFONAMIDE, LEUR PREPARATION ET LEURS APPLICATIONS EN THERAPEUTIQUE
  申请人：SYNTHELABO

  公开号：EP0842148A1

  公开（公告）日：1998-05-20
• US6214882B1
  申请人：——

  公开号：US6214882B1

  公开（公告）日：2001-04-10
• [EN] BENZENESULPHONAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USES THEREOF<br/>[FR] DERIVES DE BENZENESULFONAMIDE, LEUR PREPARATION ET LEURS APPLICATIONS EN THERAPEUTIQUE
  申请人：SYNTHELABO

  公开号：WO1997006136A1

  公开（公告）日：1997-02-20

  (EN) Benzenesulphonamide compounds of general formula (I), wherein R1 is a hydrogen or halogen atom such as chlorine or fluorine, or a straight or branched C1-4 alkyl or C1-4 alkoxy group, each of R2, R3 and R4, which are the same or different, is a hydrogen atom or a straight, branched or cyclic C1-4 alkyl group, and R5 is a hydrogen atom or a C1-2 alkyl, C1-2 fluoroalkyl or C1-2 perfluoroalkyl group, in the form of enantiomers, diastereoisomers or mixtures thereof, including racemic mixtures, as well as pharmaceutically acceptable acid addition salts thereof, are provided for therapeutical use.(FR) Composés de benzènesulfonamide de formule générale (I) dans laquelle: R1 représente un atome d'hydrogène ou d'halogène, tel que chlore ou fluor, ou un groupe C1-4 alkyle ou C1-4 alcoxy, linéaire ou ramifié, R2, R3, et R4 représentent, indépendamment les uns des autres, des atomes d'hydrogène ou des groupes C1-4 alkyle, linéaire, ramifié ou cyclique, et R5 représente un atome d'hydrogène, un groupe C1-2 alkyle, C1-2 fluoroalkyle, ou C1-2 perfluoroalkyle, sous forme d'énantiomères ou de diastéréoisomères, ou de mélanges de ces différentes formes, y compris de mélanges racémiques ainsi que leurs sels d'addition à des acides pharmaceutiquement acceptables. Application en thérapeutique.
• The P1 N-isopropyl motif bearing hydroxyethylene dipeptide isostere analogues of aliskiren are in vitro potent inhibitors of the human aspartyl protease renin
  作者：Yasuchika Yamaguchi、Keith Menear、Nissim-Claude Cohen、Robert Mah、Frédéric Cumin、Christian Schnell、Jeanette M. Wood、Jürgen Maibaum

  DOI：10.1016/j.bmcl.2009.05.128

  日期：2009.8

  Novel nonpeptide small molecule renin inhibitors bearing an N-isopropyl P-1 motif were designed based on initial lead structures 1 and aliskiren (2). (P-3-P-1)-Benzamide derivatives such as 9a and 34, as well as the corresponding P-1 basic tertiary amine derivatives 10 and 35 were found to display low nanomolar inhibition against human renin in vitro. (C) 2009 Elsevier Ltd. All rights reserved.