4-溴-5-异喹啉磺酰氯 | 127625-94-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 中文名称: 4-溴-5-异喹啉磺酰氯
• 中文别名: 5-异喹啉磺酰氯化,4-溴-
• 英文名称: 4-bromoisoquinoline-5-sulfonyl chloride
• 英文别名: 4-bromo-5-isoquinolinesulphonyl chloride
• CAS: 127625-94-9
• 化学式: C₉H₅BrClNO₂S
• mdl: MFCD11052628
• 分子量: 306.567
• InChiKey: DETHFQYKUHNJRY-UHFFFAOYSA-N

物化性质

• 沸点：
  408.7±30.0 °C(Predicted)
• 密度：
  1.807±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  15
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  55.4
• 氢给体数：
  0
• 氢受体数：
  3

上下游信息

• 下游产品

  中文名称	英文名称	CAS号	化学式	分子量
  ——	4-bromo-5-isoquinolylsulphonamide	127625-93-8	C9H7BrN2O2S	287.137
  ——	(S)-2-(4-bromoisoquinoline-5-sulfonamido)-N-(tert-butoxycarbonyl)-N-(3-hydroxypropyl)propylamine	913625-39-5	C20H28BrN3O5S	502.429
  ——	(S)-hexahydro-2-methyl-1-(4-bromo-5-isoquinolinesulfonyl)-1H-1,4-diazepine	——	C15H18BrN3O2S	384.297
  2-(S)-1-(4-溴异喹啉-5-磺酰基)-N-(叔丁氧羰基)-N-(4-羟基丁基)丙胺	2-(S)-1-(4-bromoisoquinoline-5-sulfonyl)-N-(tert-butoxycarbonyl)-N-(4-hydroxybutyl)propylamine	1011466-13-9	C21H30BrN3O5S	516.456

反应信息

• 作为反应物：
  描述：

  4-溴-5-异喹啉磺酰氯 在 偶氮二甲酸二异丙酯 、 四丁基氟化铵 、 三乙胺 、 三苯基膦 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 28.75h， 生成 (S)-tert-butyl-4-[(4-bromoisoquinolin-5-yl)sulfonyl]-3-methyl-1,4-diazepane-1-carboxylate
  参考文献：
  名称：

  一种1，4-二氮杂环庚烷衍生物的制备方法

  摘要：

  本发明公开了一种1，4‑二氮杂环庚烷衍生物的制备方法，该方法中，式(Ⅵ)化合物与式(Ⅴ)化合物在芳烃或者卤代烃溶剂中，在碱存在的条件下，在‑5‑0℃条件下进行进行大量偶联，偶联完成所得的式(Ⅳ)化合物通过TBAF脱去羟基保护，再通过Mitsunobu反应自身环合得到式(Ⅱ)化合物，式(Ⅱ)化合物在盐酸的乙酸乙酯溶液脱去氨基保护得到目标化合物1，4‑二氮杂环庚烷衍生物。该方法合成步骤少，且各个步骤的反应条件温和，因而操作简单方便，降低了生产成本，更重要的是，用该方法合成1，4‑二氮杂环庚烷衍生物，收率高。

  公开号：

  CN105906609A
• 作为产物：
  描述：

  4-溴异喹啉-5-胺 生成 4-溴-5-异喹啉磺酰氯
  参考文献：
  名称：

  COMTE, MARIE-THERESE;MALLERON, JEAN-LUC;PEYRONEL, JEAN-FRANCOIS;TRUCHON, +

  摘要：

  DOI：

文献信息

• 5-Substituted isoquinoline derivatives
  申请人：Yamada Rintaro

  公开号：US20050020623A1

  公开（公告）日：2005-01-27

  A compound represented by the following formula (1) or a salt thereof: wherein R 1 represents hydrogen atom, a halogen atom and the like; R 2 represents hydrogen atom, a halogen atom, a C 1-6 alkyl group and the like; and R 3 represents —O—X—C(A 1 )(A 11 )—C(A 2 )(A 2l )—N(A 3l )(A 3 )(X represents propylene group etc., A 11 and A 21 represent hydrogen atom, or a C 1-6 alkyl group, A 31 represents a C 1-6 alkyl group substituted with hydroxyl group, or hydrogen atom, and A 1 , A 2 , and A 3 represent hydrogen atom, a C 1-6 alkyl group and the like) and the like, which has an inhibitory activity on the phosphorylation of myosin regulatory light chain, and is useful for treatment of diseases relating to contraction of various cells and the like.

  由以下公式（1）表示的化合物或其盐： 其中R1代表氢原子、卤素原子等；R2代表氢原子、卤素原子、C1-6烷基团等；R3代表—O—X—C(A1)(A11)—C(A2)(A21)—N(A31)(A3)（X代表丙烯基等，A11和A21代表氢原子或C1-6烷基团，A31代表被羟基取代的C1-6烷基团或氢原子，A1、A2和A3代表氢原子、C1-6烷基团等）等，该化合物对肌球蛋白调节轻链的磷酸化具有抑制作用，并且对涉及各种细胞收缩等的疾病的治疗有益。
• ISOQUINOLINESULFONYL DERIVATIVE AS RHO KINASE INHIBITOR
  申请人：MEDSHINE DISCOVERY INC.

  公开号：US20170037050A1

  公开（公告）日：2017-02-09

  The present invention discloses a class of isoquinolinesulfonyl derivatives as RHO kinase inhibitors, and pharmaceutical compositions thereof, and relates to pharmaceutically acceptable uses thereof. Specifically, the present invention relates to a compound as represented by formula (I), or a pharmaceutically acceptable salt thereof.

  本发明公开了一类异喹啉磺酰衍生物作为RHO激酶抑制剂，以及其药物组合物，并涉及它们的药用可接受用途。具体而言，本发明涉及如式(I)所示的化合物，或其药用可接受的盐。
• 4-haloisoquinoline derivative and drug containing the same
  申请人：Hidaka Hiroyoshi

  公开号：US20070088021A1

  公开（公告）日：2007-04-19

  The present invention relates to compounds which have a potent Rho-kinase inhibitory action and which are useful as therapeutic agents for treating diseases, such as hypertension, pulmonary hypertension, cerebral vasospasm, angina pectoris, cardiac failure, arteriosclerosis, glaucoma, dysuria, asthma, and erectile failure, and drugs containing the compounds. The present invention provides a 4-haloisoquinoline derivative represented by formula (1): an acid-added salt thereof, or a solvate of any of the foregoing, in which X is halogen, such as fluoro, chloro, bromo and iodo.

  本发明涉及具有强效Rho激酶抑制作用的化合物，可用作治疗疾病的治疗剂，如高血压、肺动脉高压、脑血管痉挛、心绞痛、心力衰竭、动脉硬化、青光眼、排尿困难、哮喘和勃起功能障碍，以及含有这些化合物的药物。本发明提供一种由式（1）表示的4-卤异喹啉衍生物：其酸盐加合物，或者上述任一化合物的溶剂化合物，其中X是卤素，如氟、氯、溴和碘。
• Sulfonamide compound
  申请人：Matsubara Koki

  公开号：US20090048223A1

  公开（公告）日：2009-02-19

  A compound represented by the formula (1) [A represents a nitrogen-containing saturated ring; m represents an integer of 0 to 2; n represents an integer of 1 to 4; G 1 represents hydrogen atom, chlorine atom, hydroxyl group, an alkoxy group, or amino group; G 2 represents a halogen atom, hydroxyl group, cyano group, carboxy group, an alkyl group, an alkenyl group, an alkynyl group, an alkoxy group, an alkylthio group, an amino group, an alkylsulfinyl group, an alkylsulfonyl group, or an aryl group; G 3 represents hydrogen atom, a halogen atom, hydroxyl group, cyano group, carboxy group, an alkyl group, an alkenyl group, an alkynyl group, an alkoxy group, an alkylthio group, an amino group, an alkoxycarbonyl group, an acyl group, an acyloxy group, an alkylsulfinyl group, an alkylsulfonyl group, or an aryl group; Y represents a single bond, or —C(R 3 )(R 4 )— (R 3 and R 4 represent hydrogen atom, or an alkyl group, or alkylene groups which combine together to form a saturated hydrocarbon ring group); G 4 represents hydroxyl group (Y is a single group), or —N(R 1 )(R 2 ) (R 1 and R 2 represent hydrogen atom, an alkyl group, an aralkyl group, an alkenyl group, an alkynyl group, a saturated heterocyclic group, an alkylsulfonyl group, an acyl group, or an amidino group); G 5 is a substituent on a ring-constituting carbon atom of A, and represents hydrogen atom, fluorine atom, or an alkyl group] or a salt thereof, or a derivative thereof that is a prodrug, which potently inhibits Rho kinase.

  由以下化学式表示的化合物：[A代表含氮饱和环；m表示0到2的整数；n表示1到4的整数；G1代表氢原子、氯原子、羟基、烷氧基或氨基；G2代表卤原子、羟基、氰基、羧基、烷基、烯基、炔基、烷氧基、烷硫基、氨基、烷氧羰基、酰基、乙酰氧基、烷基磺基、烷基磺酰基或芳基；G3代表氢原子、卤原子、羟基、氰基、羧基、烷基、烯基、炔基、烷氧基、烷硫基、氨基、烷氧羰基、酰基、乙酰氧基、烷基磺基、烷基磺酰基或芳基；Y代表单键，或-C(R3)(R4)-（R3和R4代表氢原子、烷基或烷烯基，它们结合在一起形成饱和碳氢环基）；G4代表羟基（Y是单个基），或-N(R1)(R2)（R1和R2代表氢原子、烷基、芳基、烯基、炔基、饱和杂环基、烷基磺酰基、酰基或胺基）；G5是A的环构成碳原子上的取代基，代表氢原子、氟原子或烷基]或其盐、或作为前药的衍生物，其强力抑制Rho激酶。
• Heterocyclic derivatives, their preparation and medicinal products
  申请人：Rhone-Poulenc Sante

  公开号：US05114949A1

  公开（公告）日：1992-05-19

  Compounds are disclosed of formula: R.sub.1 --(CH.sub.2).sub.n --Het in which R.sub.1 represents a residue of formula ##STR1## X represents a hydrogen atom or an alkyl radical, Y represents a hydrogen atom or an alkyl or alkoxy radical, Z represents an alkyl radical, n is equal to 2 or 3, Het represents a substituted piperidino (substituted at the 4-position with a 1-indenylidene, 1-indenyl or 1-indanyl radical or with a chain --(CH.sub.2).sub.m --R.sub.2 or .dbd.CH--R.sub.2), substituted 1,2,3,6-tetrahydro-1-pyridyl (substituted at the 4-position with a chain --(CH.sub.2).sub.m --R.sub.2), m is equal to 1 or 2, and R.sub.2 represents an optionally substituted 2- or 3-indolyl radical, a 1- or 2-indanyl, 1- or 2-indenyl, an optionally substituted 1,2,3,4-tetrahydro-5H-pyrido[4,3-b]indol-2-yl radical, a 1,2,3,4-tetrahydro-3-quinolyl radical, an optionally substituted 1,2,3,4-tetrahydro-2-naphthyl radical or a 1-indolyl radical, their preparation and medicinal products containing them.

  揭示了具有以下结构的化合物：R.sub.1--(CH.sub.2).sub.n--Het，其中R.sub.1代表以下结构的残基##STR1##X代表氢原子或烷基基团，Y代表氢原子或烷基或烷氧基团，Z代表烷基基团，n等于2或3，Het代表取代的哌啶基（在4位取代有1-茚基亚甲基、1-茚基或1-茚基基团或具有链--(CH.sub.2).sub.m--R.sub.2或.dbd.CH--R.sub.2)，取代的1,2,3,6-四氢-1-吡啶基（在4位取代有链--(CH.sub.2).sub.m--R.sub.2），m等于1或2，R.sub.2代表可选取代的2-或3-吲哚基团，1-或2-茚基、1-或2-茚基、可选取代的1,2,3,4-四氢-5H-吡啶并[4,3-b]吲哚-2-基团、1,2,3,4-四氢-3-喹啉基团、可选取代的1,2,3,4-四氢-2-萘基团或1-吲哚基团，它们的制备以及含有它们的药物产品。