2-Chlorosulfonyl-4,5-dimethoxy-benzoic acid methyl ester | 182163-04-8

• 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-Chlorosulfonyl-4,5-dimethoxy-benzoic acid methyl ester
• 英文别名: methyl 2-chlorosulfonyl-4,5-dimethoxybenzoate
• CAS: 182163-04-8
• 化学式: C₁₀H₁₁ClO₆S
• 分子量: 294.713
• InChiKey: LCZYNCQBKBWGLY-UHFFFAOYSA-N

物化性质

• 沸点：
  428.8±45.0 °C(Predicted)
• 密度：
  1.390±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.7
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  87.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-Chlorosulfonyl-4,5-dimethoxy-benzoic acid methyl ester 在 吡啶 、 sodium methylate 、 sodium hydride 、 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Endothelin receptor antagonists: synthesis and structure–activity relationships of substituted benzothiazine-1,1-dioxides

  摘要：

  The development of benzothiazine-1,1-dioxide derivatives as a new structural class of potent endothelin receptor antagonists is described. Structure-activity relationships (SAR) revealed that PD164800 (1) is a potent antagonist of the ETA receptor subtype. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00080-7
• 作为产物：
  描述：

  在 磺酰氯 、 potassium nitrate 作用下， 以 乙腈 为溶剂， 生成 2-Chlorosulfonyl-4,5-dimethoxy-benzoic acid methyl ester
  参考文献：
  名称：

  Endothelin receptor antagonists: synthesis and structure–activity relationships of substituted benzothiazine-1,1-dioxides

  摘要：

  The development of benzothiazine-1,1-dioxide derivatives as a new structural class of potent endothelin receptor antagonists is described. Structure-activity relationships (SAR) revealed that PD164800 (1) is a potent antagonist of the ETA receptor subtype. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0968-0896(98)00080-7

文献信息

• Benzothiazine dioxides as endothelin antagonists
  申请人：Warner-Lambert Company

  公开号：US05599811A1

  公开（公告）日：1997-02-04

  Novel benzothiazine dioxides which are antagonists of endothelin are described, as well as novel intermediates used in their preparation, methods for the preparation, and pharmaceutical compositions of the same, which are useful in treating elevated levels of endothelin, essential renovascular malignant and pulmonary hypertension, cerebral infarction, cerebral ischemia, congestive heart failure, and subarachnoid hemorrhage.

  描述了一种新型苯并噻嗪二氧化物，它们是内皮素拮抗剂，以及用于它们制备的新型中间体，制备方法，以及相同的药物组合物，这些药物组合物在治疗内皮素水平升高、肾血管性恶性高血压和肺动脉高压、脑梗死、脑缺血、充血性心力衰竭和蛛网膜下腔出血方面是有用的。
• [EN] BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS<br/>[FR] DIOXYDES DE BENZOTHIAZINE UTILISES COMME ANTAGONISTES DE L'ENDOTHELINE
  申请人：WARNER-LAMBERT COMPANY

  公开号：WO1996026195A1

  公开（公告）日：1996-08-29

  (EN) Novel benzothiazine dioxides which are antagonists of endothelin are described, as well as novel intermediates used in their preparation, methods for the preparation, and pharmaceutical compositions of the same, which are useful in treating elevated levels of endohelin, essential renovascular malignant and pulmonary hypertension, cerebral infarction, cerebral ischemia, congestive heart failure, and subarachnoid hemorrhage.(FR) La présente invention concerne de nouveaux dioxydes de benzothiazine qui sont des antagonistes de l'endothéline, ainsi que de nouveaux intermédiaires utilisés pour leur préparation, des procédés de préparation et des compositions pharmaceutiques à base de ces nouveaux dioxydes de benzothiazine. Ces nouveaux dioxydes de benzothiazine sont utiles dans le traitement des niveaux élevés d'endothéline, de l'hypertension artérielle rénovasculaire et pulmonaire essentielle maligne, de l'infarctus cérébral, de l'insuffisance cardiaque congestive et de l'hémorragie sous-arachnoïdienne.

  描述了一种新的苯并噻唑二氧化物，它们是内皮素拮抗剂，以及用于它们的制备的新中间体，制备方法和相应的药物组成物，这些药物组成物在治疗内皮素水平升高、重要肾血管恶性和肺动脉高压、脑梗死、脑缺血、充血性心力衰竭和蛛网膜下腔出血方面有用。
• Sulfonamide compound or salt thereof
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：US10889555B2

  公开（公告）日：2021-01-12

  The present invention provides a novel sulfonamide compound having a ribonucleotide reductase inhibitory activity or a salt thereof, and a pharmaceutical composition containing the same as an active ingredient. A compound represented by Formula (I) [wherein, X1 represents an oxygen atom or the like; X2 represents an oxygen atom; X3 represents —NH—; X4 represents a hydrogen atom or the like; R1 represents —C(R11)(R12)— or the like; R11 and R12 are the same or different and each represents a hydrogen atom or the like; R2 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R3 represents an optionally substituted C6-C14 aromatic hydrocarbon group or the like; R4 represents a hydrogen atom or the like] or a salt thereof.

  本发明提供了一种具有核糖核苷酸还原酶抑制活性的新型磺酰胺化合物或其盐，以及含有该化合物作为活性成分的药物组合物。 由式(I)代表的化合物[其中，X1代表氧原子或类似物；X2代表氧原子；X3代表-NH-；X4代表氢原子或类似物；R1代表-C(R11)(R12)-或类似物；R11和R12相同或不同且各自代表氢原子或类似物；R2代表任选取代的C6-C14芳烃基团或类似物；R3代表任选取代的C6-C14芳烃基团或类似物；R4代表氢原子或类似物]或其盐。
• BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0811001A1

  公开（公告）日：1997-12-10
• Sulfonamide Compound or Salt Thereof
  申请人：Taiho Pharmaceutical Co., Ltd.

  公开号：US20200157066A1

  公开（公告）日：2020-05-21

  The present invention provides a novel sulfonamide compound having a ribonucleotide reductase inhibitory activity or a salt thereof, and a pharmaceutical composition containing the same as an active ingredient. A compound represented by Formula (I) [wherein, X 1 represents an oxygen atom or the like; X 2 represents an oxygen atom; X 3 represents —NH—; X 4 represents a hydrogen atom or the like; R 1 represents —C(R 11 )(R 12 )— or the like; R 11 and R 12 are the same or different and each represents a hydrogen atom or the like; R 2 represents an optionally substituted C 6 -C 14 aromatic hydrocarbon group or the like; R 3 represents an optionally substituted C 6 -C 14 aromatic hydrocarbon group or the like; R 4 represents a hydrogen atom or the like] or a salt thereof.