5-isopropyl-pyridine-2-sulfonyl chloride | 180031-03-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 5-isopropyl-pyridine-2-sulfonyl chloride
• 英文别名: 5-isopropylpyridine-2-sulphonyl chloride；5-Isopropylpyridine-2-sulfonyl chloride；5-propan-2-ylpyridine-2-sulfonyl chloride
• CAS: 180031-03-2
• 化学式: C₈H₁₀ClNO₂S
• 分子量: 219.692
• InChiKey: JSBVVLSVARQKMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  5-isopropyl-pyridine-2-sulfonyl chloride 在 4-二甲氨基吡啶 、 ammonium hydroxide 、 potassium tert-butylate 、 sodium 作用下， 以 甲苯 为溶剂， 生成 pyridin-2-yl-carbamic acid 2-[6-(5-isopropyl-pyridine-2-sulfonylamino)-5-(2-methoxy-phenoxy)-2-morpholin-4-yl-pyrimidin-4-yloxy]-ethyl ester
  参考文献：
  名称：

  Discovery of Ro 48-5695: A potent mixed endothelin receptor antagonist optimized from bosentan

  摘要：

  Implementation of a pyridylcarbamoyl group and an isopropylpyridylsulfonamide substituent as key components in the scaffold of Bosentan resulted in the identification of the potent orally active endothelin receptor antagonist Ro 48-5695. It shows affinities for ETA and ETB receptors in the low nanomolar range and high functional antagonistic potency in vitro. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00400-9
• 作为产物：
  描述：

  2-氯-5-异丙基-吡啶 在 盐酸 、 氯 、 溶剂黄146 、 硫脲 作用下， 反应 20.0h， 生成 5-isopropyl-pyridine-2-sulfonyl chloride
  参考文献：
  名称：

  Discovery of Ro 48-5695: A potent mixed endothelin receptor antagonist optimized from bosentan

  摘要：

  Implementation of a pyridylcarbamoyl group and an isopropylpyridylsulfonamide substituent as key components in the scaffold of Bosentan resulted in the identification of the potent orally active endothelin receptor antagonist Ro 48-5695. It shows affinities for ETA and ETB receptors in the low nanomolar range and high functional antagonistic potency in vitro. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00400-9

文献信息

• Aryl- and hetaryl-sulfonamide derivatives, their preparation and their
  申请人：Hoffmann-La Roche Inc.

  公开号：US05962682A1

  公开（公告）日：1999-10-05

  Compounds of formula (I) ##STR1## wherein R.sup.1 signifies phenyl, substituted phenyl or heterocyclyl; R.sup.2 signifies phenyl or substituted phenyl; R.sup.3 signifies hydrogen, lower-alkyl, cyano, carboxy, esterified carboxy, phenyl, substituted phenyl, heterocyclyl or a residue --CONR.sup.5 R.sup.6 or --NR.sup.5 COR.sup.7 ; R.sup.4 signifies hydrogen or lower-alkyl; R.sup.5 signifies hydrogen or a residue R.sup.7, and R.sup.6 signifies --(CH.sub.2).sub.m R.sup.7 ; or R.sup.5 and R.sup.6 together with the N atom associated with them signify a heterocyclic residue; R.sup.7 signifies phenyl, substituted phenyl, cycloalkyl, heterocyclyl, lower-alkyl, cyano-lower-alkyl, hydroxy-lower-alkyl, di-lower-alkylamino-lower-alkyl, carboxy-lower-alkyl, lower-alkoxycarbonyl-lower-alkyl, lower-alkoxycarbonylamino-lower-alkyl or phenyl-lower-alkoxycarbonyl; R.sup.a signifies hydrogen, lower-alkyl or hydroxy; R.sup.b signifies hydrogen or lower-alkyl; Z signifies hydroxy, amino or a residue --OR.sup.8, --OC(O)NHR.sup.8, --OC(O)OR.sup.8, --NHC(O)NHR.sup.8 or --NHC(O)OR.sup.8 ; R.sup.8 signifies heterocyclyl, phenyl, substituted phenyl or lower-alkyl; A and Y each independently signify oxygen or sulphur, X signifies nitrogen or CH; m signifies 0, 1 or 2; and n signifies 0, 1 or 2; and pharmaceutically usable salts thereof are inhibitors of endothelin receptors. They can therefore be used for the treatment of disorders which are associated with endothelin activities, especially circulatory disorders such as hypertension, ischaemia, vasospasms and angina pectoris.

  式(I)的化合物##STR1##其中R.sup.1表示苯基，取代苯基或杂环烷基；R.sup.2表示苯基或取代苯基；R.sup.3表示氢，较低烷基，氰基，羧基，酯化羧基，苯基，取代苯基，杂环烷基或残基--CONR.sup.5 R.sup.6或--NR.sup.5 COR.sup.7；R.sup.4表示氢或较低烷基；R.sup.5表示氢或残基R.sup.7，R.sup.6表示--(CH.sub.2).sub.m R.sup.7；或R.sup.5和R.sup.6与与其相关联的N原子一起表示杂环残基；R.sup.7表示苯基，取代苯基，环烷基，杂环烷基，较低烷基，氰基较低烷基，羟基较低烷基，二较低烷基氨基较低烷基，羧基较低烷基，较低烷氧羰基较低烷基，较低烷氧羰胺较低烷基或苯基较低烷氧羰基；R.sup.a表示氢，较低烷基或羟基；R.sup.b表示氢或较低烷基；Z表示羟基，氨基或残基--OR.sup.8，--OC(O)NHR.sup.8，--OC(O)OR.sup.8，--NHC(O)NHR.sup.8或--NHC(O)OR.sup.8；R.sup.8表示杂环烷基，苯基，取代苯基或较低烷基；A和Y各自独立表示氧或硫，X表示氮或CH；m表示0，1或2；n表示0，1或2；以及其药用盐是内皮素受体的抑制剂。因此，它们可用于治疗与内皮素活动相关的疾病，尤其是循环障碍，如高血压，缺血，血管痉挛和心绞痛。
• Pyrazole compositions
  申请人：Pfizer Inc.

  公开号：US20030232848A1

  公开（公告）日：2003-12-18

  Compounds of formulae (IA) and (IB): 1 wherein R 1 , R 2 , R 3 , Ar 1 and X are as defined above, are endothelin antagonists. The compounds are therefore useful in the treatment of a variety of conditions mediated by endothelin, such as restenosis, renal failure and systemic and pulmonary hypertension.

  式子（IA）和（IB）的化合物：1其中R1，R2，R3，Ar1和X的定义如上所述，是内皮素拮抗剂。因此，这些化合物在治疗由内皮素介导的各种疾病，如再狭窄，肾衰竭和全身性和肺性高血压方面是有用的。
• Sulfonylamino-acetic acid derivatives
  申请人：Aissaoui Hamed

  公开号：US20060014783A1

  公开（公告）日：2006-01-19

  The invention relates to novel sulfonylamino-acetic acid derivatives and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of such compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as orexin receptor antagonists.

  本发明涉及一种新型磺酰氨基乙酸衍生物及其作为制备药物组合物中的活性成分的用途。本发明还涉及相关方面，包括制备这些化合物的过程，含有其中一种或多种化合物的药物组合物，特别是它们作为促进睡眠的药物和促进睡眠的药物。
• Pyrazoles
  申请人：Pfizer Inc.

  公开号：US06573270B1

  公开（公告）日：2003-06-03

  Compounds of formulae (IA) and (IB): wherein R1, R2, R3, Ar1 and X are as defined above, are endothelin antagonists. The compounds are therefore useful in the treatment of a variety of conditions mediated by endothelin, such as restenosis, renal failure and systemic and pulmonary hypertension.

  公式（IA）和（IB）的化合物：其中R1、R2、R3、Ar1和X如上所定义，是内皮素拮抗剂。因此，这些化合物在治疗由内皮素介导的各种疾病，如再狭窄、肾功能衰竭以及系统性和肺动脉高血压方面具有用处。
• SULFONYLAMINO-ACETIC ACID DERIVATIVES
  申请人：Aissaoui Hamed

  公开号：US20070244156A1

  公开（公告）日：2007-10-18

  The invention relates to novel sulfonylamino-acetic acid derivatives and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of such compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as orexin receptor antagonists.

  本发明涉及新型磺酰氨基乙酸衍生物及其作为制备药物组成的活性成分的用途。本发明还涉及相关方面，包括制备这些化合物的过程、含有这些化合物中的一个或多个的药物组合物，特别是它们作为促进睡眠的药物的用途。