氨基哌嗪盐酸盐 | 30651-60-6

• 物质功能分类: 医药中间体 - 杂环化合物 - 哌嗪类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 中文名称: 氨基哌嗪盐酸盐
• 中文别名: 1-氨基哌嗪
• 英文名称: 1-aminopiperazine
• 英文别名: piperazin-1-yl-amine；Piperazin-1-amine
• CAS: 30651-60-6
• 化学式: C₄H₁₁N₃
• mdl: MFCD00082807
• 分子量: 101.151
• InChiKey: IYPZRUYMFDWKSS-UHFFFAOYSA-N

物化性质

• 沸点：
  163.1±33.0 °C(Predicted)
• 密度：
  1.000±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  7
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  41.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 危险品标志：
  Xi
• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  氨基哌嗪盐酸盐 生成 (6aR,9R,10aR)-7-ethyl-N-piperazin-1-yl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
  参考文献：
  名称：

  ZIEGLER, R.;STUETZ, P.

  摘要：

  DOI：
• 作为产物：
  描述：

  1-亚硝基哌嗪 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 3.08h， 生成 氨基哌嗪盐酸盐
  参考文献：
  名称：

  Radiosynthesis and Bioimaging of the Tuberculosis Chemotherapeutics Isoniazid, Rifampicin and Pyrazinamide in Baboons

  摘要：

  The front-line tuberculosis (TB) chemotherapeutics isoniazid (INH), rifampicin (RIF), and pyrazinamide (PZA) have been labeled with carbon-11 and the biodistribution of each labeled drug has been determined in baboons using positron emission tomography (PET). Each radiosynthesis and formulation has been accomplished in 1 h, using [C-11]CH3I to label RIF and [C-11]HCN to label INH and PZA. Following iv administration, INH, PZA, RIF, and/or their radiolabeled metabolites clear rapidly from many tissues; however, INH, PZA, and/or their radiolabeled metabolites accumulate in the bladder while RIF and/or its radiolabeled metabolites accumulates in the liver and gall bladder, consistent with the known routes of excretion of the drugs. In addition, the biodistribution data demonstrate that the ability of the three drugs and their radiolabeled metabolites to cross the blood brain barrier decreases in the order PZA > INH > RIF, although in all cases the estimated drug concentrations are greater than the minimum inhibitory concentration (MIC) values for inhibiting bacterial growth of Mycobacterium tuberculosis (MTB). The pharmacokinetic (PK) and drug distribution data have important implications for treatment of disseminated TB in the brain and pave the way for imaging the distribution of the pathogen in vivo.

  DOI：

  10.1021/jm901858n

文献信息

• Synthesis of New Heteroaryl Substituted Morpholine Tagged Triazines and Evaluation of their Cytotoxic Activity
  作者：Sivaprasad Kasturi、Sujatha Surarapu、Srinivas Uppalanchi、Hasitha Shilpa Anantaraju、Shubham Dwivedi、Perumal Yogeeswari、Krishna S. Ethiraj、Jaya Shree Anireddy

  DOI：10.2174/1570180814666170605115335

  日期：2018.1.30

  Background: In the present study, new triazine derivatives 3, 4, 5, 6, 8 and 10 were synthesized starting from readily available cyanuric chloride 1 via nucleophilic displacement with morpholine followed by Suzuki or Stille coupling reactions and then the thermal displacement of chlorine atom with diverse substituted amines. Methods: All synthesized compounds were screened for their cytotoxic activity

  背景：在本研究中，新合成的三嗪衍生物3、4、5、6、8和10由容易获得的氰尿酰氯1经吗啉进行亲核取代，然后经Suzuki或Stille偶联反应，然后热取代氯原子而合成与各种取代的胺。 方法：筛选所有合成的化合物对HT-29，MDA-MB-231和HEK293细胞系的细胞毒活性。 结果与结论：化合物6a（HT50的IC50（µM）：0.32，MDA-MB-231为2.92）和化合物8c（IC50（µM）：HT-29为1.40，MDA-MB-231为1.60）。鉴定并与阿霉素和ZSTK474作参考标准进行比较。
• DIKETO-PIPERAZINE AND PIPERIDINE DERIVATIVES AS ANTIVIRAL AGENTS
  申请人：Wang Tao

  公开号：US20070249579A1

  公开（公告）日：2007-10-25

  This disclosure provides compounds having drug and bio-affecting properties, their pharmaceutical compositions and method of use. In particular, the disclosure is concerned with diketo piperazine and piperadine derivatives that possess unique antiviral activity. More particularly, the present disclosure relates to compounds useful for the treatment of HIV and AIDS.

  本公开提供具有药物和生物影响特性的化合物，它们的药物组合物和使用方法。具体而言，该公开涉及具有独特抗病毒活性的二酮哌嗪和哌啶衍生物。更具体地说，本公开涉及用于治疗艾滋病毒和艾滋病的化合物。
• Cloxacepride and related compounds: a new series of orally active antiallergic compounds
  作者：Gunter Metz、M. H. Pindell、H. L. Chen

  DOI：10.1021/jm00361a022

  日期：1983.7

  4-[[(p-Chlorophenoxy)acetyl]amino]-5-chloro-2-methoxy-N-[2-(diethylamino)ethyl]benzamide (cloxacepride, 1), exhibited substantial oral antiallergic potential in a reaginic PCA test in rats over a wide range of antigenic challenge times. Available reference compounds with oral activity, such as doxantrazole and 7-(2-hydroxyethoxy)-9-oxoxanthene-2-carboxylic acid (AH 7725, 4), were active only when administered

  4-[[（对-氯苯氧基）乙酰基]氨基] -5-氯-2-甲氧基-N- [2-（二乙基氨基）乙基]苯甲酰胺（cloxacepride，1）在PCA测试中显示出明显的口服抗过敏潜力。大鼠在广泛的抗原挑战时间内。现有的具有口服活性的参考化合物，例如多沙唑和7-（2-羟基乙氧基）-9-氧杂蒽-2-羧酸（AH 7725，4），仅在激发前15分钟给药才具有活性：4，尤其是效果不一致。氯吡格雷的口服ED50值为46-49 mg / kg，与茶碱相当，静脉注射2 mg / kg的铬糖酸二钠（DSCG）可立即攻击。口服ED50剂量后，1显示出比茶碱更慢的发作和更长的作用持续时间。全身性过敏反应和抗组胺活性的抑制作用的缺乏表明了特异性作用或尿素性抗原抗体反应。根据必需的取代基，研究和讨论了各种化学修饰的构效关系。
• New indole derivatives as factor Xa inhibitors
  申请人：——

  公开号：US20030199689A1

  公开（公告）日：2003-10-23

  The present invention relates to compounds of formula I, 1 in which R 0 ; R 1 ; R 2 ; R 3 ; R 4 ; R 5 ; R 6 ; R 7 ; Q; V, G and M have the meanings indicated in the claims. The compounds of formula I are valuable pharmacologically active compounds. They exhibit a strong antithrombotic effect and are suitable, for example, for the therapy and prophylaxis of cardiovascular disorders like thromboembolic diseases or restenoses. They are reversible inhibitors of the blood clotting enzymes factor Xa (FXa) and/or factor VIIa (FVIIa), and can in general be applied in conditions in which an undesired activity of factor Xa and/or factor VIIa is present or for the cure or prevention of which an inhibition of factor Xa and/or factor VIIa is indicated. The invention furthermore relates to processes for the preparation of compounds of formula I, their use, in particular as pharmaceuticals for treating the foregoing conditions, and pharmaceutical preparations comprising them.

  本发明涉及具有式I的化合物，其中R0；R1；R2；R3；R4；R5；R6；R7；Q；V，G和M具有索赔中指示的含义。式I的化合物是有价值的药理活性化合物。它们表现出强烈的抗血栓作用，例如，适用于治疗和预防心血管疾病如血栓栓塞疾病或再狭窄。它们是血凝酶因子Xa（FXa）和/或因子VIIa（FVIIa）的可逆抑制剂，通常可应用于存在因子Xa和/或因子VIIa不良活性的情况，或者在其治疗或预防需要抑制因子Xa和/或因子VIIa的情况下。此外，本发明还涉及制备式I化合物的方法，它们的用途，特别是作为用于治疗上述疾病的药物，以及包含它们的制剂。
• A New Type of Chemical Modification of Glycopeptides Antibiotics: Aminomethylated Derivatives of Eremomycin and Their Antibacterial Activity.
  作者：ANDREI Y. PAVLOV、EDUARD I. LAZHKO、MARIA N. PREOBRAZHENSKAYA

  DOI：10.7164/antibiotics.50.509

  日期：——

  A series of derivatives of eremomycin aminomethylated at the 7d position of the resorcinol ring of the amino acid No. 7 was prepared by interaction of eremomycin with formaldehyde and various primary and secondary amines and ammonia. The most active compound obtained was 7d-decylaminomethyl derivative, whose minimal inhibitory concentrations for clinical isolates of staphylococci are 2-8 times lower than those of the parent antibiotic. 7d-Decylaminomethyl derivative was also active against vancomycin-resistant VanA enterococci (8 μg/ml) and Neisseria gonorrhoeae (16 μg/ml).

  一系列在氨基酸第7位的苯二酚环的7d位点上进行氨基甲基化的埃雷莫霉素衍生物，是通过埃雷莫霉素与甲醛以及各种一、二级胺和氨的反应制备的。获得的活性最强的化合物是7d-十烷氨基甲基衍生物，其对临床分离的葡萄球菌的最低抑菌浓度比母体抗生素低2-8倍。7d-十烷氨基甲基衍生物对万古霉素耐药的VanA肠球菌（8 μg/ml）和淋病奈瑟氏菌（16 μg/ml）也具有活性。