3-(N,N-dimethylamino)propoxyamine hydrochloride

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 3-(N,N-dimethylamino)propoxyamine hydrochloride
• 英文别名: 3-(dimethylamino)propoxyamine hydrochloride；3-dimethylaminopropoxyamine*HCl；O-[3-(dimethylamino)-propyl]-hydroxylamine hydrochloride；O-(3-Dimethylamino-propyl)-hydroxylamine hydrochloride；O-[3-(dimethylamino)propyl]hydroxylamine;hydrochloride
• 化学式: C₅H₁₄N₂O*ClH
• 分子量: 154.64
• InChiKey: UBBNIVKIGCXFLQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.25
• 重原子数：
  9
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  38.5
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  11H-茚并[1,2-b]喹喔啉-11-酮 、 3-(N,N-dimethylamino)propoxyamine hydrochloride 在 盐酸 作用下， 以 乙醇 、 水 为溶剂， 反应 6.5h， 以82%的产率得到11H-indeno[1,2-b]quinoxalin-11-one O-[3-(dimethylamino)propyl] oxime hydrochloride
  参考文献：
  名称：

  Discovery of indeno[1,2- b ]quinoxaline derivatives as potential anticancer agents

  摘要：

  We have synthesized certain indeno[1,2-b]quinoxaline derivatives for antiproliferative evaluation. Among them, 11-{[3-(dimethylamino)propoxy]imino}-N-[3-(dimethylamino) propyl]-11H-indeno(1,2-b] quinoxaline-6-carboxamide (10a) was active against the growth of MDA-MB231, PC-3, and Huh-7 with IC50 values of 0.87 (selectivity index, SI = 36.22), 0.82 (SI = 38.43), and 0.64 mu M (SI = 49.23) respectively. Compound 10a was inactive against the growth of normal human fetal lung fibroblast cell line (MRC-5) with an IC50 value of 31.51 mu M. Its analogs, 10b and 10c, were also active against the growth of MB231, PC-3, and Huh-7 with IC50 values of <1.0.mu M in each case. Our results have also indicated compounds 10a-10c exhibited comparable inhibitory activities against topo I and topo II with the positive compound 2 at a concentration of 10 mu M. Mechanism studies indicated that compound 10a induced cell cycle arrest at S phase via activation of caspase-3, -7 and an increase in the protein expression of Bad and Bax but a decrease in expression of Bcl-2 and PARP, which consequently cause cell death. In addition, compound 10a attenuated the levels of phosphorylated Src, Akt-1, and Akt-2 protein levels but did not affect the total protein expression of Akt. We have also implanted human hepatocellular carcinoma cells into the yolk sac of zebrafish larvae and incubated larvae with various concentrations of 10a. Our results of the zebrafish xenograft assay confirmed the anti-tumor effect of 10a in vivo. (C) 2015 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2015.11.031
• 作为产物：
  描述：

  N,N-二甲氨基氯丙烷盐酸盐 在 盐酸 、 氢氧化钾 作用下， 以 二甲基亚砜 为溶剂， 反应 5.0h， 生成 3-(N,N-dimethylamino)propoxyamine hydrochloride
  参考文献：
  名称：

  具有洋地黄样活性的5beta-androstane-3beta，14beta-diol的17beta-O-氨基烷基肟：合成，强心活性，结构活性关系和Na（+），K（+）-ATPase受体的分子模型。

  摘要：

  合成了一系列具有17-氨基烷氧基亚氨基烷基或-烯基取代基的洋地黄样化合物，并评估了其对Na（+），K（+）-ATPase的抑制作用和正性肌力活性。在具有构型17beta的取代基且氨基距洋地黄毒苷骨架的C（17）6或7个键的距离处发现具有最高的抑制作用。肟功能的存在加强了与受体的相互作用，如果α，β-不饱和的话，则更有效，从而模仿了天然洋地黄化合物中不饱和内酯的电子状态。活性最高的化合物显示Na（+），K（+）-ATPase抑制能力（IC（50））比标准地黄毒苷原和地高辛高17-25倍，而正性肌力（EC（50））高3-11倍。孤立的豚鼠左心房。这些特征得到了分子模型的支持，该分子模型暗示了上述基团与Na（+），K（+）-ATPase的H1-H2域中特定氨基酸残基的可能相互作用。一些互动是文献中已经描述的经典互动；发现了碱性基团与Cys138的新的非常强的相互作用，为设计与受体此区域相互作用的

  DOI：

  10.1021/jm990627w

文献信息

• SYNERGISTIC MODULATION OF FLT3 KINASE USING AMINOPYRIMIDINES KINASE MODULATORS
  申请人：Baumann Andrew Christian

  公开号：US20060281700A1

  公开（公告）日：2006-12-14

  The invention is directed to a method of inhibiting FLT3 tyrosine kinase activity or expression or reducing FLT3 kinase activity or expression in a cell or a subject comprising the administration of a farnesyl transferase inhibitor and a FLT3 kinase inhibitor selected from aminopyrimidine compounds of Formula I′: where R 3 , B, Z, Q, p, q and R 1 are as defined herein. Included within the present invention is both prophylactic and therapeutic methods for treating a subject at risk of (or susceptible to) developing a cell proliferative disorder or a disorder related to FLT3.

  本发明涉及一种抑制细胞或受试者中FLT3酪氨酸激酶活性或表达或减少FLT3激酶活性或表达的方法，包括给予一种法尼基转移酶抑制剂和一种从氨基嘧啶化合物I′的公式中选择的FLT3激酶抑制剂：其中R3、B、Z、Q、p、q和R1如本文所定义。本发明包括治疗和预防方法，用于治疗患有细胞增殖障碍或与FLT3相关的障碍的受试者。
• AMINOPYRIMIDINES AS KINASE MODULATORS
  申请人：Gaul David Michael

  公开号：US20060281764A1

  公开（公告）日：2006-12-14

  The invention is directed to aminopyrimidine compounds of Formula I: where R 3 , B, Z, Q, p, q and R 1 are as defined herein, the use of such compounds as protein tyrosine kinase modulators, particularly inhibitors of FLT3 and/or c-kit and/or TrkB, the use of such compounds to reduce or inhibit kinase activity of FLT3 and/or c-kit and/or TrkB in a cell or a subject, and the use of such compounds for preventing or treating in a subject a cell proliferative disorder and/or disorders related to FLT3 and/or c-kit and/or TrkB. The present invention is further directed to pharmaceutical compositions comprising the compounds of the present invention and to methods for treating conditions such as cancers and other cell proliferative disorders.

  该发明涉及式I的氨基嘧啶化合物：其中R3、B、Z、Q、p、q和R1如本文中所定义，该类化合物的用途为蛋白酪氨酸激酶调节剂，特别是FLT3和/或c-kit和/或TrkB的抑制剂，该类化合物的用途是在细胞或主体中减少或抑制FLT3和/或c-kit和/或TrkB的激酶活性，并且该类化合物的用途是用于预防或治疗主体中的细胞增殖紊乱和/或与FLT3和/或c-kit和/或TrkB相关的紊乱。本发明进一步涉及包括本发明化合物的药物组合物以及用于治疗癌症和其他细胞增殖紊乱等疾病的方法。
• Bicyclo[3,1,0]hexane containing oxazolidinone antibioytics and derivatives thereof
  申请人：Kyorin Pharmaceutical Co., Ltd.

  公开号：US20030125367A1

  公开（公告）日：2003-07-03

  Oxazolidinones having a bicyclic[3.1.0] hexane containing moiety, which are effective against aerobic and anerobic pathogens such as multi-resistant staphylococci, streptococci and enterococci, Bacteroides spp., Clostridia spp. species, as well as acid-fast organisms such as Mycobacterium tuberculosis and other mycobacterial species. The compounds are represented by structural formula I: 1 its enantiomer, diastereomer, or pharmaceutically acceptable salt or ester thereof, and wherein the variables R 1 , R 2 , R 3 , R 4 , R 4a , A, Ar, HAr, n, r, and s are as defined herein.

  含有含有双环[3.1.0]己烷基团的噁唑烷酮，对需氧菌和厌氧病原体具有有效作用，如多耐药葡萄球菌、链球菌和肠球菌、Bacteroides属、Clostridia属物种，以及酸快细菌如结核分枝杆菌和其他分枝杆菌物种。该化合物由结构式I表示：其对映体、二对映体或其药用可接受的盐或酯，其中变量R1、R2、R3、R4、R4a、A、Ar、HAr、n、r和s的定义如本文所述。
• Synthesis and Antiproliferative Evaluation of Certain Indeno[1,2-<i>c</i>]quinoline Derivatives. Part 2
  作者：Chih-Hua Tseng、Cherng-Chyi Tzeng、Chiao-Li Yang、Pei-Jung Lu、Hui-Ling Chen、Hao-Yi Li、You-Chung Chuang、Chia-Ning Yang、Yeh-Long Chen

  DOI：10.1021/jm1005447

  日期：2010.8.26

  activities has been observed for indeno[1,2-c]quinoline derivatives; (5) compound 8c induced DNA fragmentation may through caspase-3 activation, phosphorylation of the histone protein H2AX at Ser139 (γ-H2AX), and PARP cleavage; (6) compound 8c demonstrated significant tumor regression in the human breast xenograft model; (7) indeno[1,2-c]quinoline derivatives are a new class of molecules that have the

  合成了某些茚并[1,2- c ]喹啉衍生物，并对其抗增殖，DNA结合亲和力和拓扑异构酶（拓扑I和拓扑II）抑制活性进行了评估。初步结果如下：（1）在C 11的氨基烷氧基亚氨基侧链的取代基对于其中端胺优选为叔或环状五元吡咯烷基环的抗增殖活性是重要的；（2）在所评估的茚并[1,2- c ]喹啉衍生物中，（E）-6-羟基-9-甲氧基-11 H-茚并[1,2 - c ]喹啉-11-one O -2-（吡咯烷-1-基）乙基肟（8c）被发现是最具细胞毒性的药物之一，对SAS，A549和BT483的GI 50值分别为0.84、0.89和0.79μM，比喜树碱更具活性; （3）C 6上的取代基对于选择性细胞毒性至关重要，其中最优选OH基，而氢或哌嗪对癌细胞和底特律551均具有细胞毒性。（4）已观察到茚并[1,2- c ]喹啉衍生物的抗增殖活性，DNA结合亲和力和topo I和topo II抑制活性呈正相关
• Indole derivatives, method for preparating same and pharmaceutical compositions containing same
  申请人：Barth Francis

  公开号：US20060089345A1

  公开（公告）日：2006-04-27

  The present invention provides compounds of formula: and also provides their preparation and the pharmaceutical compositions comprising them. These compounds are ligands of CB 2 cannabinoid receptors.

  本发明提供了以下化合物的化学式，并提供了它们的制备方法以及包含它们的药物组合物。这些化合物是CB2大麻素受体的配体。