1-溴-3-甲基-丁-1,3-二烯 | 55099-59-7

• 分子结构分类: 有机化合物 - 有机卤素化合物 - 乙烯基卤化物
• 中文名称: 1-溴-3-甲基-丁-1,3-二烯
• 英文名称: isoprenylbromide
• 英文别名: 1-Brom-3-methyl-1,3-butadien；1-bromo-3-methyl-buta-1,3-diene；1-Brom-3-methyl-buta-1,3-dien；Bromoisoprene；1-bromo-3-methylbuta-1,3-diene
• CAS: 55099-59-7
• 化学式: C₅H₇Br
• 分子量: 147.015
• InChiKey: JVDWKJQBWSKJOJ-UHFFFAOYSA-N

物化性质

• 沸点：
  48 °C(Press: 42 Torr)
• 密度：
  1.3408 g/cm3(Temp: 0 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  0

反应信息

• 作为反应物：
  描述：

  1-溴-3-甲基-丁-1,3-二烯 生成 alkaline earth salt of/the/ methylsulfuric acid
  参考文献：
  名称：

  Faworskaja, Zhurnal Obshchei Khimii, 1939, vol. 10, p. 463

  摘要：

  DOI：
• 作为产物：
  描述：

  3-溴-3-甲基-1-丁炔 在 copper(l) chloride 氢溴酸 、 溴化铵 、 过氧化苯甲酰 作用下， 生成 1-溴-3-甲基-丁-1,3-二烯
  参考文献：
  名称：

  3-Bromo-3-methyl-1-butyne, 1-Bromo-3-methyl-1,2-butadiene, and 1-Bromo-3-methyl-1,3-butadiene¹

  摘要：

  DOI：

  10.1021/jo01040a051

文献信息

• N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl, or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors
  申请人：American Cyanamid Company

  公开号：US20020188120A1

  公开（公告）日：2002-12-12

  Matrix metalloproteinases (MMPs) are a group of enzymes that have been implicated in the pathological destruction of connective tissue and basement membranes. These zinc containing endopeptidases consist of several subsets of enzymes including collagenases, stromelysins and gelatinases. TNF-&agr; converting enzyme (TACE), a pro-inflammatory cytokine, catalyzes the formation of TNF-&agr; from membrane bound TNF-&agr; precursor protein. It is expected that small molecule inhibitors of MMPs and TACE therefore have the potential for treating a variety of disease states. The present invention provides low molecular weight, non-peptide inhibitors of matrix metalloproteinases (MMPs) and TNF-&agr; converting enzyme (TACE) for the treatment of arthritis, tumor metastasis, tissue ulceration, abnormal wound healing, periodontal disease, bone disease, diabetes (insulin resistance) and HIV infection having the formula 1 wherein R 2 and R 3 form a heterocyclic ring and A is S, S(O), or S(O)2, and R 1 and R 4 are defined herein.

  基质金属蛋白酶（MMPs）是一组酶，已被认为与结缔组织和基底膜的病理性破坏有关。这些含锌内切酶包括几个酶亚组，包括胶原酶、基质金属蛋白酶和明胶酶。TNF-α转化酶（TACE）是一种促炎细胞因子，催化膜结合的TNF-α前体蛋白形成TNF-α。因此，MMPs和TACE的小分子抑制剂有潜力用于治疗多种疾病状态。本发明提供了基质金属蛋白酶（MMPs）和TNF-α转化酶（TACE）的低分子量、非肽抑制剂，用于治疗关节炎、肿瘤转移、组织溃疡、异常伤口愈合、牙周病、骨病、糖尿病（胰岛素抵抗）和HIV感染，其化学式为1，其中R2和R3形成杂环环，A为S、S（O）或S（O）2，R1和R4如本文所定义。
• N-hydroxy-2-(alkyl, aryl, or heteroaryl sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors
  申请人：American Cyanamid Company

  公开号：US20020032186A1

  公开（公告）日：2002-03-14

  Matrix metalloproteinases (MMPs) are a group of enzymes that have been implicated in the pathological destruction of connective tissue and basement membranes. These zinc containing endopeptidases consist of several subsets of enzymes including collagenases, stromelysins and gelatinases. TNF-&agr; converting enzyme (TACE), a pro-inflmatory cytokine, catalyzes the formation of TNF-&agr; from membrane bound TNF-&agr; precursor protein. It is expected that small molecule inhibitors of MMPs and TACE therefore have the potential for treating a variety of disease states. The present invention provides low molecular weight, non-peptide inhibitors of matrix metalloproteinases (MMPs) and TNF-&agr; converting enzyme (TACE) for the treatment of arthritis, tumor metastasis, tissue ulceration, abnormal wound healing, periodontal disease, bone disease, diabetes (insulin resistance) and HIV infection having the formula 1 wherein R 2 and R 3 form a heterocyclic ring and A is S, S(O), or S(O) 2 , and R 1 and R 4 are defined herein.

  基质金属蛋白酶（MMPs）是一组酶，已被证明与结缔组织和基底膜的病理性破坏有关。这些含锌内切酶包括几个亚组酶，包括胶原酶、基质金属蛋白酶和明胶酶。TNF-α转化酶（TACE）是一种促炎细胞因子，它催化从膜结合的TNF-α前体蛋白形成TNF-α。因此，MMPs和TACE的小分子抑制剂有治疗多种疾病的潜力。本发明提供了低分子量、非肽类的基质金属蛋白酶（MMPs）和TNF-α转化酶（TACE）抑制剂，用于治疗关节炎、肿瘤转移、组织溃疡、异常愈合、牙周病、骨病、糖尿病（胰岛素抵抗）和HIV感染，其化学式为1，其中R2和R3形成杂环环，A为S、S（O）或S（O）2，R1和R4如本文所定义。
• Thiazinobenzimidazole derivatives
  申请人：SS Pharmaceutical Co., Ltd.

  公开号：US04450109A1

  公开（公告）日：1984-05-22

  The specification describes novel thiazinobenzimidazole derivatives represented by the general formula: ##STR1## wherein R.sub.1, R.sub.2 and X represent a wide variety of substituent groups respectively. The above thiazinobenzimidazole derivatives may be prepared by reacting corresponding 2-hydroxymethyl thiazinobenzimidazole derivatives with corresponding reactive derivatives of carboxylic acid or halogenide or by reacting 2-p-toluenesulfonyloxymethyl-thiazinobenzimidazole derivatives with sodium azides, thiols, phenols or amines. The above thiazinobenzimidazole derivatives wherein X is OH may be prepared by reducing their corresponding 2-alkoxycarbonyl derivatives. Where X represents a p-toluenesulfonyloxy group, the thiazinobenzimidazole derivatives may be obtained by reacting corresponding 2-hydroxymethyl-thiazinobenzimidazole derivatives with p-toluenesulfonyl chloride. Where X stands for an N-substituted 2-(homo)piperazinomethyl group, 2-(homo)piperazinomethyl-thiazinobenzimidazole derivatives are reacted with reactive compounds to introduce the desired substituent groups. The thiazinobenzimidazole derivatives according to this invention are useful as medicament for circulatory systems.

  该规范描述了由通式所表示的新型噻唑苯并咪唑衍生物：## STR1 ## 其中R.sub.1，R.sub.2和X分别表示各种取代基。上述噻唑苯并咪唑衍生物可通过将相应的2-羟甲基噻唑苯并咪唑衍生物与相应的羧酸或卤代衍生物反应，或通过将2-p-甲苯磺酰氧甲基噻唑苯并咪唑衍生物与叠氮化钠、硫醇、酚或胺反应制备。其中X为OH的噻唑苯并咪唑衍生物可通过还原其相应的2-烷氧羰基衍生物来制备。当X表示p-甲苯磺酰氧基时，可以通过将相应的2-羟甲基噻唑苯并咪唑衍生物与p-甲苯磺酰氯反应来获得噻唑苯并咪唑衍生物。当X代表N-取代的2-(同)哌嗪甲基基团时，2-(同)哌嗪甲基噻唑苯并咪唑衍生物与反应性化合物反应，以引入所需的取代基团。根据本发明的噻唑苯并咪唑衍生物可用作循环系统药物。
• N-hydroxy-2-(alkyl, aryl, or heteroaryl, sulfanyl, sulfinyl or sulfonyl)-3-substituted alkyl, aryl or heteroarylamides as matrix metalloproteinase inhibitors
  申请人：American Cyanamid Company

  公开号：US06288086B1

  公开（公告）日：2001-09-11

  Matrix metalloproteinases (MMPs) are a group of enzymes that have been implicated in the pathological destruction of connective tissue and basement membranes. These zinc containing endopeptidases consist of several subsets of enzymes including collagenases, stromelysins and gelatinases. TNF-&agr; converting enzyme (TACE), a pro-inflammatory cytokine, catalyzes the formation of TNF-&agr; from membrane bound TNF-&agr; precursor protein. It is expected that small molecule inhibitors of MMPs and TACE therefore have the potential for treating a variety of disease states. The present invention provides low molecular weight, non-peptide inhibitors of matrix metalloproteinases (MMPs) and TNF-&agr; converting enzyme (TACE) for the treatment of arthritis, tumor metastasis, tissue ulceration, abnormal wound healing, periodontal disease, bone disease, diabetes (insulin resistance) and HIV infection having the formula wherein R2 and R3 form a heterocyclic ring and A is S, S(O), or S(O)2, and R1 and R4 are defined herein.

  基质金属蛋白酶（MMPs）是一组酶，已被认为与结缔组织和基底膜的病理性破坏有关。这些含锌内切酶包括胶原酶、基质金属蛋白酶和明胶酶等多个亚组。TNF-α转换酶（TACE）是一种促炎细胞因子，催化从膜结合的TNF-α前体蛋白形成TNF-α。因此，MMPs和TACE的小分子抑制剂有望用于治疗多种疾病。本发明提供了低分子量、非肽类的基质金属蛋白酶（MMPs）和TNF-α转换酶（TACE）抑制剂，用于治疗关节炎、肿瘤转移、组织溃疡、异常愈合、牙周病、骨病、糖尿病（胰岛素抵抗）和HIV感染，其化学式为R2和R3形成杂环环，A为S、S（O）或S（O）2，R1和R4在此被定义。
• N-Hydroxy-2-(Alkyl, Aryl, or Heteroaryl, Sulfanyl, Sulfinyl or Sulfonyl)-3-Substituted Alkyl, Aryl or Heteroarylamides as Matrix Metalloproteinase inhibitors
  申请人：——

  公开号：US06331563B1

  公开（公告）日：2001-12-18

  Matrix metalloproteinases (MMPs) are a group of enzymes that have been implicated in the pathological destruction of connective tissue and basement membranes. These zinc containing endopeptidases consist of several subsets of enzymes including collagenases, stromelysins and gelatinases. TNF-&agr; converting enzyme (TACE), a pro-inflammatory cytokine, catalyzes the formation of TNF-&agr; from membrane bound TNF-&agr; precursor protein. It is expected that small molecule inhibitors of MMPs and TACE therefore have the potential for treating a variety of disease states. The present invention provides low molecular weight, non-peptide inhibitors of matrix metalloproteinases (MMPs) and TNF-&agr; converting enzyme (TACE) for the treatment of arthritis, tumor metastasis, tissue ulceration, abnormal wound healing, periodontal disease, bone disease, diabetes (insulin resistance) and HIV infection having the formula wherein R2 and R3 form a heterocyclic ring and A is S, S(O), or S(O)2, and R1 and R4 are defined herein.

  基质金属蛋白酶（MMPs）是一组酶，已被认为与结缔组织和基底膜的病理性破坏有关。这些含锌内切酶包括几个亚组，包括胶原酶、基质金属蛋白酶和明胶酶。TNF-&agr;转换酶（TACE）是一种促炎细胞因子，催化膜结合型TNF-&agr;前体蛋白形成TNF-&agr;。因此，预计MMPs和TACE的小分子抑制剂具有治疗各种疾病的潜力。本发明提供低分子量、非肽类基质金属蛋白酶（MMPs）和TNF-&agr;转换酶（TACE）的抑制剂，用于治疗关节炎、肿瘤转移、组织溃疡、异常伤口愈合、牙周病、骨病、糖尿病（胰岛素抵抗）和HIV感染，其化学式为R2和R3形成杂环环，A为S、S（O）或S（O）2，R1和R4如本文所定义。