2-chloro-4,5-dihydro-1H-imidazole,sulfuric acid | 54255-12-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫酸及其衍生物
• 英文名称: 2-chloro-4,5-dihydro-1H-imidazole,sulfuric acid
• 英文别名: 2-Chloro-4,5-dihydro-1H-imidazole sulfate；4,5-dihydro-2-chloroimidazolium hydrogenosulfate；2-chloro-4,5-dihydroimidazole hydrogen sulfate；2-chloro-2-imidazoline sulfate；2-chloro-2-imidazoline；2-chloroimidazoline sulfuric acid salt
• CAS: 54255-12-8
• 化学式: C₃H₇ClN₂O₄S
• 分子量: 202.62
• InChiKey: VZHOUEQLAZZYKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.13
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  107
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  2-chloro-4,5-dihydro-1H-imidazole,sulfuric acid 生成 亚乙基硫脲
  参考文献：
  名称：

  摘要：

  DOI：
• 作为产物：
  描述：

  2-氯-4,5-二氢-1H-咪唑 生成 2-chloro-4,5-dihydro-1H-imidazole,sulfuric acid
  参考文献：
  名称：

  摘要：

  DOI：

文献信息

• Oxazolone derivatives and uses thereof
  申请人：Syntex (U.S.A.) LLC

  公开号：US06355641B1

  公开（公告）日：2002-03-12

  This invention relates to compounds which are generally alpha1B-receptor antagonists, and which are represented by Formula (I): wherein X, Y, and R1 are as defined in the specification, or individual isomers or racemic or non-racemic mixtures of isomers, or pharmaceutically acceptable salts or solvates thereof. The invention further relates to pharmaceutical compositions containing such compounds, and methods for their use as therapeutic agents.

  这项发明涉及一般为α1B-受体拮抗剂的化合物，其由式(I)所代表： 其中X、Y和R1如规范中所定义，或者是各个异构体或消旋或非消旋异构体的混合物，或其药学上可接受的盐或溶剂。该发明还涉及含有这种化合物的药物组合物，以及它们作为治疗剂的使用方法。
• New 2-aryliminoimidazolidines. I. Synthesis and antihypertensive properties of 2-(2-phenoxyphenylimino)imidazolidines and related compounds.
  作者：MASAAKI MATSUO、KIYOSHI TANIGUCHI、YOUSUKE KATSURA、TOSHIHARU KAMITANI、IKUO UEDA

  DOI：10.1248/cpb.33.4409

  日期：——

  2-(2-Phenoxyphenylimino) imidazolidine and related compounds (IV and XII) were synthesized and evaluated for hypotensive activity in rats. Most of the 2-aryliminoimidazolidines (IV) were synthesized via the aniline derivatives (VI) by two different methods. Some imidazolidines (IV) were found to be significantly active, with 2-(5-chloro-2-phenoxyphenylimino) imidazolidine (IV-19) being more active than prazosin, the reference compound. The mechanism of action of IV-9 may involve the blockade of peripheral α-adrenergic receptors. This paper describes the synthesis, pharmacology, and structure-activity relationships of the 2-(2-phenoxyphenylimino) imidazolidines.

  2-(2-苯氧苯基亚胺)咪唑啉及其相关化合物（IV和XII）已被合成并在大鼠中评估其降压活性。大多数2-芳基亚胺咪唑啉（IV）通过两种不同方法由苯胺衍生物（VI）合成。一些咪唑啉（IV）显示出显著活性，其中2-(5-氯-2-苯氧苯基亚胺)咪唑啉（IV-19）的活性甚至超过了参考化合物哌唑嗪。IV-9的作用机制可能涉及阻断外周α-肾上腺素能受体。本文介绍了2-(2-苯氧苯基亚胺)咪唑啉的合成、药理学及构效关系。
• 2-imidazoline, 2-oxazoline, 2-thiazoline, and 4-imidazole derivatives of
  申请人：Syntex (U.S.A) Inc.

  公开号：US05952362A1

  公开（公告）日：1999-09-14

  The present invention concerns novel compounds represented by the Formula: ##STR1## wherein: A is R.sup.1.sub.q (R.sup.3 R.sup.60 N).sub.m (Z)(NR.sup.2).sub.n ; m and q are each 0 or 1, with the proviso that when q is 1, m is 0 and when q is 0, m is 1; Z is C.dbd.O or SO.sub.2 ; n is 1 with the proviso that, when Z is C.dbd.O, m is 1; X is --NH--, --CH.sub.2 --, or --OCH.sub.2 --; Y is 2-imidazoline, 2-oxazoline, 2-thiazoline, or 4-imidazole; R.sup.1 is H, lower alkyl, or phenyl, with the proviso that, when R.sup.1 is H, m is 1; R.sup.2, R.sup.3, R.sup.60 are each independently H, lower alkyl, or phenyl; R.sup.4, R.sup.5, R.sup.6, and R.sup.7 are each independently hydrogen, lower alkyl, --CF.sub.3, lower alkoxy, halogen, phenyl, lower alkeny, hydroxyl, lower alkylsulfonamido, or lower cycloalkyl, wherein R.sup.2 and R.sup.7 optionally may be taken together to form alkylene or alkenylene of 2 to 3 atoms in an unsubstituted or optionally substituted 5- or 6-membered ring, wherein the optional substituents on the ring are halo, lower alkyl, or --CN, with the proviso that, when R.sup.7 is hydroxyl or lower alkylsulfonamido, then X is not --NH-- when Y is 2-imidazoline. The compounds include pharmaceutically acceptable salts of the above. In the above formula A may be, for example, (R.sup.1 SO.sub.2 NR.sup.2 --), (R.sup.3 R.sup.60 NSO.sub.2 NR.sup.2 --), or (R.sup.3 R.sup.60 NCONR.sup.2 --). The invention also includes the use of the above compounds, and compositions containing them, as alpha.sub.1A/1L agonists in the treatment of various disease states such as urinary incontinence, nasal congestion, priapism, depression, anxiety, dementia, senility, Alzheimer's, deficiencies in attentiveness and cognition, and eating disorders such as obesity, bulimia, and anorexia.

  本发明涉及由以下式表示的新化合物：##STR1## 其中：A为R.sup.1_sub_q(R.sup.3 R.sup.60 N).sub.m(Z)(NR.sup.2).sub.n；m和q各为0或1，但条件是当q为1时，m为0，当q为0时，m为1；Z为C.dbd.O或SO.sub.2；n为1，但条件是当Z为C.dbd.O时，m为1；X为--NH--，--CH.sub.2--或--OCH.sub.2--；Y为2-咪唑啉，2-噁唑啉，2-硫唑啉或4-咪唑醇；R.sup.1为H，低碳烷基或苯基，但条件是当R.sup.1为H时，m为1；R.sup.2，R.sup.3，R.sup.60各自独立地为H，低碳烷基或苯基；R.sup.4，R.sup.5，R.sup.6和R.sup.7各自独立地为氢，低碳烷基，--CF.sub.3，低烷氧基，卤素，苯基，低烯基，羟基，低烷基磺酰胺基或低环烷基，其中R.sup.2和R.sup.7可选择地结合在一起形成未取代或可选择取代的5-或6-成员环的2至3个原子的烯烃或烷基，环上的可选择取代基为卤素，低碳烷基或--CN，但条件是当R.sup.7为羟基或低烷基磺酰胺基时，当Y为2-咪唑啉时，X不是--NH--。这些化合物包括上述的药用盐。在上述的式子中，A可以是(R.sup.1 SO.sub.2 NR.sup.2--)，(R.sup.3 R.sup.60 NSO.sub.2 NR.sup.2--)或(R.sup.3 R.sup.60 NCONR.sup.2--)。该发明还包括上述化合物的使用，以及含有它们的组合物，作为α.sub.1A/1L激动剂用于治疗各种疾病状态，如尿失禁、鼻塞、勃起异常、抑郁症、焦虑症、痴呆、老年痴呆症、阿尔茨海默氏病、注意力和认知缺陷、以及如肥胖症、暴食症和厌食症等的进食障碍。
• A new imidazoline-containing Bunte salt: synthesis, molecular and electronic structure
  作者：Franciszek Sączewski、Maria Gdaniec、Krzysztof Data

  DOI：10.1515/hc-2017-0177

  日期：2017.10.26

  5-dihydro-1H-imidazol-2-yl)methyl]sulfothioate, a new imidazoline-containing Bunte salt 4 was prepared by reacting 2-chloromethylimidazoline 3 with sodium thiosulfate in aqueous solution at room temperature. The mechanism of the concerted SN2 reaction pathway was studied by means of quantum chemical calculations at the B3LYP/6-31G** level of theory. The molecular structure of compound 4 incorporating a formal amidine

  摘要 S-[(4,5-二氢-1H-咪唑-2-基)甲基]硫代磺酸盐是一种新型的含咪唑啉的Bunte盐4，通过2-氯甲基咪唑啉3与硫代硫酸钠在室温下的水溶液反应制备。通过量子化学计算在 B3LYP/6-31G** 理论水平上研究了协同 SN2 反应途径的机制。通过单晶 X 射线衍射分析证实了化合物 4 的分子结构并入了形式脒部分，同时在 MP2/6-311++G** 理论水平上使用量子化学计算研究了其电子结构。
• [EN] COMPOUNDS AND METHODS FOR THE RAPID QUANTITATIVE ANALYSIS OF PROTEINS AND POLYPEPTIDES<br/>[FR] COMPOSES ET PROCEDES D'ANALYSE QUANTITATIVE RAPIDE DE PROTEINES ET DE POLYPEPTIDES
  申请人：CHU SAINTE JUSTINE

  公开号：WO2005012247A1

  公开（公告）日：2005-02-10

  A polypeptide reactive reagent having the formula PRG-Z wherein 'PRG' is a polypeptide reactive group which optionally binds to a capture reagent, and wherein 'Z' is an aryl, substituted aryl, alkyl, substituted alkyl, lower alkyl or substituted lower alkyl group in which one or more atoms can be differentially labeled with one or more stable isotopes 'X', wherein 'X' is selected from the group consisting of H and D, is described.

  一种具有公式PRG-Z的多肽反应试剂，其中'PRG'是一个多肽反应基团，可选择性地与捕获试剂结合，而'Z'是芳基、取代芳基、烷基、取代烷基、较低烷基或取代较低烷基基团，其中一个或多个原子可用一个或多个稳定同位素'X'进行不同标记，其中'X'选自包括H和D的组。