1-(2-哌啶乙基)-2-硫脲 | 206761-87-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 中文名称: 1-(2-哌啶乙基)-2-硫脲
• 英文名称: 1-(2-(piperidin-1-yl)ethyl)thiourea
• 英文别名: N-(2-piperidinoethyl)thiourea；(2-piperidin-1-yl-ethyl)-thiourea；1-(2-Piperidinoethyl)-2-thiourea；2-piperidin-1-ylethylthiourea
• CAS: 206761-87-7
• 化学式: C₈H₁₇N₃S
• 分子量: 187.309
• InChiKey: ANIWOJALUCBCGB-UHFFFAOYSA-N

物化性质

• 熔点：
  107 °C
• 沸点：
  307.7±44.0 °C(Predicted)
• 密度：
  1.107±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  73.4
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2933399090
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38

反应信息

• 作为反应物：
  描述：

  1-(2-哌啶乙基)-2-硫脲 在 三甲基铝 、 氯化铵 作用下， 以 丙酮 、 甲苯 为溶剂， 生成 5-Methylsulfanyl-4-[2-(2-piperidin-1-yl-ethylamino)-thiazol-4-yl]-thiophene-2-carboxamidine
  参考文献：
  名称：

  Synthesis of thiophene-2-carboxamidines containing 2-amino-thiazoles and their biological evaluation as urokinase inhibitors

  摘要：

  The serine protease urokinase (uPa) has been implicated in the progression of both breast and prostate cancer. Utilizing structure based design, the synthesis of a series of substituted 4-[2-amino- 1,3-thiazolyl]-thiophene-2-carboxamidine is described. Further optimization of this series by substitution of the terminal amine yielded urokinase inhibitors with excellent activities. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00102-0
• 作为产物：
  描述：

  2-(1-哌啶基)乙基异硫代氰酸酯 在 氨 作用下， 以 甲醇 为溶剂， 反应 12.0h， 生成 1-(2-哌啶乙基)-2-硫脲
  参考文献：
  名称：

  Synthesis of thiophene-2-carboxamidines containing 2-amino-thiazoles and their biological evaluation as urokinase inhibitors

  摘要：

  The serine protease urokinase (uPa) has been implicated in the progression of both breast and prostate cancer. Utilizing structure based design, the synthesis of a series of substituted 4-[2-amino- 1,3-thiazolyl]-thiophene-2-carboxamidine is described. Further optimization of this series by substitution of the terminal amine yielded urokinase inhibitors with excellent activities. (C) 2001 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(01)00102-0

文献信息

• [EN] ORIDONIN ANALOGS, COMPOSITIONS, AND METHODS RELATED THERETO<br/>[FR] ANALOGUES D'ORIDONINE, COMPOSITIONS ET PROCÉDÉS ASSOCIÉS
  申请人：UNIV TEXAS

  公开号：WO2014165841A1

  公开（公告）日：2014-10-09

  Certain embodiments are directed to oridonin analogs or derivatives. In aspects, the derivatives are used as anticancer or anti-inflammatory agents.

  某些实施例涉及苦参酮类似物或衍生物。在某些方面，这些衍生物被用作抗癌或抗炎药物。
• Thiazole and other heterocyclic ligands for mammalian dopamine, muscarinic and serotonin receptors and transporters, and methods of use thereof
  申请人：——

  公开号：US20030105071A1

  公开（公告）日：2003-06-05

  One aspect of the present invention relates to novel heterocyclic compounds. A second aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for various mammalian cellular receptors, including G-protein coupled receptors. A third aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for mammalian dopamine, muscarinic or serotonin receptors or transporters. Another aspect of the present invention relates to the use of the novel heterocyclic compounds as ligands for mammalian dopamine, muscarinic or serotonin receptors. The compounds of the present invention will also find use in the treatment of numerous ailments, conditions and diseases which afflict mammals, including but not limited to addiction, anxiety, depression, sexual dysfunction, hypertension, migraine, Alzheimer's disease, obesity, emesis, psychosis, analgesia, schizophrenia, Parkinson's disease, restless leg syndrome, sleeping disorders, attention deficit hyperactivity disorder, irritable bowel syndrome, premature ejaculation, menstrual dysphoria syndrome, urinary incontinence, inflammatory pain, neuropathic pain, Lesche-Nyhane disease, Wilson's disease, Tourette's syndrome, psychiatric disorders, stroke, senile dementia, peptic ulcers, pulmonary obstruction disorders, and asthma.

  本发明的一个方面涉及新颖的杂环化合物。本发明的第二个方面涉及将这些新颖的杂环化合物用作各种哺乳动物细胞受体的配体，包括G蛋白偶联受体。本发明的第三个方面涉及将这些新颖的杂环化合物用作哺乳动物多巴胺、肌肉或血清素受体或转运体的配体。本发明的另一个方面涉及将这些新颖的杂环化合物用作哺乳动物多巴胺、肌肉或血清素受体的配体。本发明的化合物还将用于治疗许多困扰哺乳动物的疾病、症状和疾病，包括但不限于成瘾、焦虑、抑郁、性功能障碍、高血压、偏头痛、阿尔茨海默病、肥胖、呕吐、精神病、镇痛、精神分裂症、帕金森病、不宁腿综合征、睡眠障碍、注意力缺陷多动障碍、肠易激综合征、早泄、月经痛综合征、尿失禁、炎症性疼痛、神经痛、Lesche-Nyhane病、威尔逊病、抽动症、精神障碍、中风、老年性痴呆、消化性溃疡、肺阻塞疾病和哮喘。
• [EN] NOVEL METHOD FOR PREPARING CYLOSPORIN DERIVATIVES<br/>[FR] NOUVEAU PROCEDE DE PREPARATION DE DERIVES DE CYCLOSPORINE
  申请人：AVENTIS PHARMA

  公开号：WO1999032512A1

  公开（公告）日：1999-07-01

  (EN) The invention concerns a novel method for preparing a polyanion useful for preparing cyclosporin derivatives modified in position -3 by treating a cyclosporin with an alkali amide in liquid ammonia or in an aliphatic amine of low molecular weight, in the presence of a cosolvent, and optionally in the presence of dimethylpropyleneurea (DMPU). The treated cyclosporin has one or several free hydroxy groups and/or non-methylated nitrogen atoms in position $g(a) and/or any other acid group capable of being subjected to deprotonation and which are optionally subjected to deprotonation, or are in protected form.(FR) Nouveau procédé de préparation d'un polyanion utile pour la préparation de dérivés de cyclosporine modifiés en position -3 par traitement d'une cyclosporine par un amidure alcalin dans l'ammoniac liquide ou dans une amine aliphatique de bas poids moléculaire, en présence d'un cosolvant, et éventuellement en présence de diméthylpropylèneurée (DMPU). La cyclosporine traitée possède un ou des groupements hydroxy libres et/ou un ou des atomes d'azote non-méthylés en position $g(a) et/ou tout autre groupement acide déprotonable qui sont éventuellement déprotonés, ou sont sous forme protégée.

  该发明涉及一种新的制备聚阴离子的方法，用于制备通过在液氨或低分子量的脂肪胺中，用碱金属酰胺处理环孢素，从而在-3位置上修饰环孢素衍生物。在共溶剂的存在下，可选地在二甲基丙烯酰胺（DMPU）的存在下进行处理。经处理的环孢素具有一个或多个自由羟基和/或非甲基化氮原子在$g(a)位置和/或任何其他酸基团，可被脱质子化，这些酸基团可以选择性地被脱质子化，或者处于保护形式。
• [EN] NOVEL CYCLOSPORIN DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM<br/>[FR] NOUVEAUX DERIVES DE CYCLOSPORINE, LEUR PREPARATION ET LES COMPOSITIONS PHARMACEUTIQUES QUI LES CONTIENNENT
  申请人：RHONE-POULENC RORER S.A.

  公开号：WO1998028330A1

  公开（公告）日：1998-07-02

  (EN) The invention concerns cyclosporin derivatives of general formula (I) in which Alk is C2-C6 alkylene linear or branched or C3-C6 cycloalkylene and R is: either OH, COOH or alkyloxycarbonyl, or -NR1R2 for which R1 and R2 identical or different are H, or alkyl, C2-C4 alkylene, C3-C6 cycloalkyl, phenyl optionally substituted (by halogen, alkyloxy, alkyloxycarbonyl, amino, alkylamino or dialkylamino), or are benzyl or saturated or unsaturate heterocyclic compound containing 5 or 6 chains and 1 to 3 heteroatoms, or for which R1 and R2 form with the nitrogen atom to which they are bound a heterocyclic compound containing 4 to 6 chains capable of containing another heteroatom selected among N, O or S and optionally substituted by an alkyl, phenyl or benzyl, or a radical of general formula (I') for which R1 and R2 are as defined above, R3 is H or alkyl and n is a whole number from 2 to 4. The alkyl portions or radicals defined above are linear or branched and contain 1 to 4 carbon atoms, as well as their pharmaceutically acceptable salts when they do exist. These novel products are particularly useful for treating and/or preventing retroviral infections.(FR) Dérivés de la cyclosporine de formule générale (I) dans laquelle Alk est alcoylène 2 à 6 C en chaîne droite ou ramifiée ou cycloalcoylène contenant 3 à 6 C et R est: soit OH, COOH ou alcoyloxycarbonyle, soit -NR1R2 pour lequel R1, R2 identiques ou différents sont H, ou alcoyle, alcényle (2 à 4C), cycloalcoyle (3 à 6C), phényle éventuellement substitué (par halogène, alcoyloxy, alcoyloxycarbonyle, amino, alcoylamino ou dialcoylamino), ou sont des radicaux benzyle ou hétérocyclyle saturé ou insaturé contenant 5 ou 6 chaînons et 1 à 3 hétéroatomes, ou pour lequel R1 et R2 forment avec l'atome d'azote auquel ils sont rattachés un hétérocycle contenant 4 à 6 chaînons pouvant contenir un autre hétéroatome choisi parmi N, O ou S et éventuellement substitué par alcoyle, phényle ou benzyle, soit un radical de formule générale (I') pour lequel R1 et R2 sont définis comme ci-dessus, R3 est H ou alcoyle et n est en entier de 2 à 4, les portions ou radicaux d'alcoyle définis ci-dessus étant droits ou ramifiés et contenant 1 à 4 atomes de carbone, ainsi que leurs sels pharmaceutiquement acceptables lorsqu'ils existent. Ces nouveaux produits sont particulièrement utiles pour le traitement et/ou la prophylaxie des infections à rétrovirus.

  本发明涉及一般式（I）的环孢霉素衍生物，其中Alk是C2-C6的线性或支链烷基或C3-C6的环烷基，而R是：OH、COOH或烷氧羰基，或者-NR1R2，其中R1和R2相同或不同，是H、烷基、C2-C4烷基、C3-C6环烷基、苯基（可选择由卤素、烷氧基、烷氧羰基、氨基、烷基氨基或二烷基氨基取代），或者是苄基或含有5或6个链和1到3个杂原子的饱和或不饱和杂环化合物，或者R1和R2与它们所连接的氮原子形成含有4到6个链的杂环化合物，能够包含另一个从N、O或S中选择的杂原子，并且可选择由烷基、苯基或苄基取代，或者是一般式（I'）的基团，其中R1和R2如上所述，R3是H或烷基，n是从2到4的整数。如上所定义的烷基部分或基团是线性或支链的，含有1到4个碳原子，当它们存在时，它们的药学上可接受的盐也是如此。这些新产品特别适用于治疗和/或预防逆转录病毒感染。
• Antibacterial agents
  申请人：Boyer Earl Frederick

  公开号：US20050288273A1

  公开（公告）日：2005-12-29

  Compounds of formula I and methods for their preparation are disclosed. Further disclosed are methods of making biologically active compounds of formula I as well as pharmaceutically acceptable compositions comprising compounds of formula I. Compounds of formula I as disclosed herein can be used in a variety of applications including use as antibacterial agents.

  本文披露了I式化合物及其制备方法。此外，还披露了制备具有生物活性的I式化合物的方法，以及包含I式化合物的药学上可接受的组合物的方法。本文所披露的I式化合物可以用于多种应用，包括用作抗菌剂。