3-丁基-2,4-咪唑烷二酮 | 33599-31-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 中文名称: 3-丁基-2,4-咪唑烷二酮
• 英文名称: 3-n-butylhydantoin
• 英文别名: 3-Butyl-hydantoin；3-butyl-imidazolidine-2,4-dione；3-Butylimidazolidine-2,4-dione
• CAS: 33599-31-4
• 化学式: C₇H₁₂N₂O₂
• mdl: MFCD12193951
• 分子量: 156.184
• InChiKey: POOCDTKATJYNHL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.714
• 拓扑面积：
  49.4
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-丁基-2,4-咪唑烷二酮 在 哌啶 、 sodium tetrahydroborate 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 反应 28.0h， 生成 3-Butyl-5-(7-chloro-1H-indol-3-ylmethyl)-imidazolidine-2,4-dione
  参考文献：
  名称：

  Structure–activity relationship study of novel necroptosis inhibitors

  摘要：

  Necroptosis is a regulated caspase-independent cell death mechanism that results in morphological features resembling necrosis. It can be induced in a FADD-deficient variant of human Jurkat T cells treated with TNF-alpha. 5-(1H-Indol-3-ylmethyl)-2-thiohydantoins and 5-(1H-indol-3-ylmethyl)hydantoins were found to be potent necroptosis inhibitors (called necrostatins). A SAR study revealed that several positions of the indole were intolerant of substitution, while small substituents at the 7-position resulted in increased inhibitory activity. The hydantoin ring was also quite sensitive to structural modifications. A representative member of this compound class demonstrated moderate pharmacokinetic characteristics and readily entered the central nervous system upon intravenous administration. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.07.077
• 作为产物：
  描述：

  5-丁基海因酸 在 盐酸 作用下， 以 水 为溶剂， 以78%的产率得到3-丁基-2,4-咪唑烷二酮
  参考文献：
  名称：

  Mostowicz, Danuta; Abramski, Wojciech; Belzecki, Czeslaw, Polish Journal of Chemistry, 1981, vol. 55, # 6, p. 1387 - 1391

  摘要：

  DOI：

文献信息

• [EN] 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD)<br/>[FR] DÉRIVÉS DE 7-OU 8-HYDROXY-ISOQUINOLÉINE ET DE 7-OU 8-HYDROXY-QUINOLÉINE EN TANT QUE MODULATEURS D'ALPHA-1-ANTITRYPSINE POUR TRAITER UNE DÉFICIENCE EN ALPHA-1-ANTITRYPSINE (AATD)
  申请人：VERTEX PHARMA

  公开号：WO2021203028A1

  公开（公告）日：2021-10-07

  7- or 8-hydroxy-isoquinoline and 7- or 8-hydroxy-quinoline derivatives as alpha-l-antitrypsin modulators for treating alpha-l-antitrypsin deficiency (AATD).

  7-或8-羟基异喹啉和7-或8-羟基喹啉衍生物作为治疗α-1-抗胰蛋白酶缺乏症（AATD）的α-1-抗胰蛋白酶调节剂。
• Treatment of immediate hypersensitivity diseases with aryl hydantoins
  申请人：Lilly Industries Limited

  公开号：US04241073A1

  公开（公告）日：1980-12-23

  Novel hydantoin compounds are described of the formula (I): ##STR1## wherein Ar is phenyl optionally substituted by up to three radicals selected from the group comprising C.sub.1-6 alkoxy, halogen, 1,3-dioxol-2-yl, hydroxy C.sub.1-4 alkoxy C.sub.1-4 alkyl, phenyl, hydroxyl, nitrile, C.sub.1-4 haloalkyl, C.sub.1-4 alkyl, C.sub.2-4 alkenyloxy, C.sub.1-4 alkoxycarbonyl or phenoxy optionally substituted by C.sub.1-4 haloalkyl, C.sub.1-4 alkoxy or halogen; or is thiophene optionally substituted by phenyl or by one or two C.sub.1-4 alkyl groups; R.sup.1 and R.sup.2 are independently hydrogen or taken together represent a chemical bond; R.sup.3 is hydrogen, C.sub.1-6 alkyl or C.sub.2-4 alkenyl; and R.sup.4 is C.sub.1-6 alkyl, C.sub.2-4 alkenyl, phenyl or benzyl; provided that R.sup.3 cannot be hydrogen when Ar is unsubstituted phenyl and R.sup.4 is n-butyl. The compounds are useful in the treatment of immediate hypersensitivity diseases including asthma.

  描述了一种新的咪唑啉化合物，其化学式为（I）：##STR1##其中Ar是苯基，可以选择性地取代为来自包括C.sub.1-6烷氧基、卤素、1,3-二氧杂环戊烷-2-基、羟基C.sub.1-4烷氧基C.sub.1-4烷基、苯基、羟基、腈基、C.sub.1-4卤代烷基、C.sub.1-4烷基、C.sub.2-4烯基氧基、C.sub.1-4烷氧羰基或苯氧基，可以选择性地取代为C.sub.1-4卤代烷基、C.sub.1-4烷氧基或卤素；或是噻吩，可以选择性地取代为苯基或一个或两个C.sub.1-4烷基基团；R.sup.1和R.sup.2独立地是氢原子或一起表示化学键；R.sup.3是氢原子，C.sub.1-6烷基或C.sub.2-4烯基；R.sup.4是C.sub.1-6烷基、C.sub.2-4烯基、苯基或苄基；但要求当Ar是未取代的苯基且R.sup.4是正丁基时，R.sup.3不能是氢原子。这些化合物在治疗包括哮喘在内的即时超敏症疾病中具有用途。
• Thenyl hydantoins and anti-asthmatic compositions thereof
  申请人：Lilly Industries Limited

  公开号：US04293563A1

  公开（公告）日：1981-10-06

  Novel hydantoin compounds are described of the formula (I): ##STR1## wherein Ar is phenyl optionally substituted by up to three radicals selected from the group comprising C.sub.1-6 alkoxy, halogen, 1,3-dioxol-2-yl, hydroxy C.sub.1-4 alkoxy C.sub.1-4 alkyl, phenyl, hydroxyl, nitrile, C.sub.1-4 haloalkyl, C.sub.1-4 alkyl, C.sub.2-4 alkenyloxy, C.sub.1-4 alkoxycarbonyl or phenoxy optionally substituted by C.sub.1-4 haloalkyl, C.sub.1-4 alkoxy or halogen; or is thiophene optionally substituted by phenyl or by one or two C.sub.1-4 alkyl groups; R.sup.1 and R.sup.2 are independently hydrogen or taken together represent a chemical bond; R.sup.3 is hydrogen, C.sub.1-6 alkyl or C.sub.2-4 alkenyl; and R.sup.4 is C.sub.1-6 alkyl, C.sub.2-4 alkenyl, phenyl or benzyl; provided that R.sup.3 cannot be hydrogen when Ar is unsubstituted phenyl and R.sup.4 is n-butyl. The compounds are useful in the treatment of immediate hypersensitivity diseases including asthma.

  本发明涉及一种新的脲嘧啶类化合物，其化学式为(I)：##STR1## 其中Ar是苯基，该苯基可选地被选自包括C.sub.1-6烷氧基，卤素，1,3-二氧杂环-2-基，羟基C.sub.1-4烷氧基C.sub.1-4烷基，苯基，羟基，腈基，C.sub.1-4卤代烷基，C.sub.1-4烷基，C.sub.2-4烯氧基，C.sub.1-4烷氧基羧基或选自C.sub.1-4卤代烷基，C.sub.1-4烷氧基或卤素取代的苯氧基取代的基团，或是噻吩基，该噻吩基可选地被苯基或一个或两个C.sub.1-4烷基取代；R.sup.1和R.sup.2分别是氢或一起表示化学键；R.sup.3是氢，C.sub.1-6烷基或C.sub.2-4烯基；R.sup.4是C.sub.1-6烷基，C.sub.2-4烯基，苯基或苄基；但是当Ar是未取代的苯基且R.sup.4是正丁基时，R.sup.3不能是氢。这些化合物可用于治疗包括哮喘在内的即时超敏反应性疾病。
• Apparatus for multiple simultaneous synthesis
  申请人：Warner-Lambert Company

  公开号：US05567391A1

  公开（公告）日：1996-10-22

  An apparatus and method which provides a suitable location for multiple, simultaneous synthesis of compounds. The apparatus consists of: a reservoir block having a plurality of wells; a plurality of reaction tubes, usually gas dispersion tubes, having filters on their lower ends; a holder block, having a plurality of apertures; and a manifold, which may have ports to allow introduction/maintenance of a controlled environment. The manifold top wall has apertures and a detachable plate with identical apertures. The apparatus is constructed from materials which will accommodate heating, cooling, agitation, or corrosive reagents. Gaskets are placed between the components. Rods or clamps are provided for fastening the components together. Apparatus operation involves placing the filters on the lower ends of the reaction tubes in the reservoir block wells, and the upper ends passing through the holder block apertures and into the manifold. The apparatus provides in excess of 1 mg of each product with structural knowledge and control over each compound. The apparatus can be adapted to manual, semiautomatic or fully automatic performance. Using the apparatus a series of building blocks are covalently attached to a solid support. These building blocks are then modified by covalently adding additional different building blocks or chemically modifying some existing functionality until the penultimate structure is achieved. This is then cleaved from the solid support by another chemical reaction into the solution within the well yielding an array of newly synthesized individual compounds, which after postreaction modification, if necessary, are suitable for testing for activity.

  一种提供适合多个化合物同时合成的合适位置的装置和方法。该装置由以下组成：具有多个孔的储液块；多个反应管，通常为气体分散管，其下端具有过滤器；具有多个孔的支架块；以及可能具有端口以允许引入/维持受控环境的集流器。集流器顶壁具有孔和带有相同孔的可拆卸板。该装置由能够适应加热、冷却、搅拌或腐蚀试剂的材料构建。在组件之间放置垫圈。提供杆或夹具以将组件固定在一起。装置操作涉及将过滤器放置在反应管的下端，放入储液块的孔中，然后将其上端穿过支架块的孔并进入集流器。该装置可提供每种产物超过1毫克的结构知识和对每种化合物的控制。该装置可适应手动、半自动或全自动性能。使用该装置，一系列构建块被共价地附加到固体支撑上。然后通过共价地添加其他不同的构建块或化学修饰某些现有的功能来修改这些构建块，直到达到次终结构。然后通过另一种化学反应从固体支撑中将其分离到孔内的溶液中，产生一系列新合成的单个化合物，经过必要的后反应修饰后，适合进行活性测试。
• Heterocyclic substituted 4-(aminomethyl)-piperidine benzamides as 5ht4-antagonists
  申请人：Bosmans René Marie André Jean-Paul

  公开号：US20070197600A1

  公开（公告）日：2007-08-23

  The present invention is concerned with novel compounds of formula (I) having 5HT 4 -antagonistic properties. The invention further relates to methods for preparing such novel compounds, pharmaceutical compositions comprising said novel compounds as well as the use as a medicine of said compounds.

  本发明涉及具有5HT4拮抗性质的化合物(I)的新颖化合物。本发明还涉及制备这种新颖化合物的方法，含有该新颖化合物的药物组合物以及该化合物作为药物的使用。