2-氯-N-(2-氯乙基)-N-乙胺盐酸盐 | 3590-07-6

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 2-氯-N-(2-氯乙基)-N-乙胺盐酸盐
• 中文别名: 2-氯-N-(2-氯乙基)-N-乙基乙胺盐酸盐
• 英文名称: N,N-bis(2-chloroethyl)-N-ethylamine hydrochloride
• 英文别名: 1,5-Dichloro-3-ethyl-3-azapentane, Hydrochloride；N,N-bis(2-chloroethyl)ethylamine hydrochloride；N-Ethyl-N,N-bis(2-chlorethyl)aminhydrochlorid；ethyl-bis(2-chloroethyl)amine hydrochloride；ethyl-bis-(2-chloro-ethyl)-amine; hydrochloride；Aethyl-bis-(2-chlor-aethyl)-amin; Hydrochlorid；bis(2-chloroethyl)-ethylazanium;chloride
• CAS: 3590-07-6
• 化学式: C₆H₁₃Cl₂N*ClH
• 分子量: 206.543
• InChiKey: NATUMHLLJZPGJW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.21
• 重原子数：
  10
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• 海关编码：
  2921199090

反应信息

• 作为反应物：
  描述：

  2-氯-N-(2-氯乙基)-N-乙胺盐酸盐 在 sodium hydroxide 、 18-冠醚-6 、 potassium carbonate 作用下， 以 甲醇 、 丙酮 为溶剂， 反应 88.0h， 生成 1-ethyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid
  参考文献：
  名称：

  Synthesis and Structure−Activity Relationship of N-Substituted 4-Arylsulfonylpiperidine-4-hydroxamic Acids as Novel, Orally Active Matrix Metalloproteinase Inhibitors for the Treatment of Osteoarthritis

  摘要：

  The matrix metalloproteinases (MMPs) are a family of zinc-containing endopeptidases that play a key role in both physiological and pathological tissue degradation. In our preceding paper, we have reported on a series of novel and orally active N-hydroxy-alpha-phenylsulfonylacetamide derivatives. However, these compounds had two drawbacks (moderate selectivity and chirality issues). To circumvent these two problems, a series of novel and orally active N-substituted 4-benzenesulfonylpiperidine-4-carboxylic acid hydroxyamide derivatives have been synthesized. The present paper deals with the synthesis and SAR of these compounds. Among the several compounds synthesized, derivative 55 turned out to be a potent, selective, and an orally active MMP inhibitor in the clinically relevant advanced rabbit osteoarthritis model. Detailed pharmacokinetics and metabolism data are described.

  DOI：

  10.1021/jm0205550
• 作为产物：
  描述：

  N-乙基二乙醇胺 在 氯化亚砜 作用下， 以 氯仿 为溶剂， 反应 1.0h， 生成 2-氯-N-(2-氯乙基)-N-乙胺盐酸盐
  参考文献：
  名称：

  凯托米酮前体的合成通过相转移催化

  摘要：

  的盐酸盐ñ -取代的双- （2-氯乙基）胺可以与缩合米甲氧基苯基-乙腈或1-苯基-2-烷酮相转移条件下，以产生强大的镇痛化合物的前体-的ketobemidones。

  DOI：

  10.1002/jhet.5570230115

文献信息

• 2-OXO-3-BENZYLBENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMOURS
  申请人：Schadt Oliver

  公开号：US20100280030A1

  公开（公告）日：2010-11-04

  Compounds of the formula (I), in which R 1 , R 2 , R 3 , R 3′ , R 4 , R 4′ , E, E′, E″ and E′″ have the meanings indicated in Claim 1 , are inhibitors of tyrosine kinases, in particular Met kinase, and can be employed, inter alia, for the treatment of tumours.

  式（I）中的化合物，其中R1，R2，R3，R3'，R4，R4'，E，E'，E"和E'"的含义如权利要求书中所示，是酪氨酸激酶的抑制剂，特别是Met激酶的抑制剂，并可用于治疗肿瘤。
• BICYCLIC TRAIZOLE DERIVATIVES FOR TREATING OF TUMORS
  申请人：Stieber Frank

  公开号：US20110135600A1

  公开（公告）日：2011-06-09

  Compounds of the formula (I), in which X 1 , X 2 , X 3 , X 4 , X 5 , R 1 , R 2 , R 3 , R 3′ , R 4 , R 6 and R 7 have the meanings indicated in Claim 1 , are inhibitors of tyrosine kinases, in particular Met kinase, and can be employed, inter alia, for the treatment of tumours.

  式（I）中的化合物，其中X1，X2，X3，X4，X5，R1，R2，R3，R3'，R4，R6和R7的含义如权利要求书中所示，是酪氨酸激酶的抑制剂，特别是Met激酶，并可用于治疗肿瘤。
• Piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids and their use as protease inhibitors
  申请人：McDonald J. Joseph

  公开号：US20050209278A1

  公开（公告）日：2005-09-22

  This invention is directed generally to proteinase (also known as “protease”) inhibitors, and, more particularly, to piperidinyl- and piperazinyl-sulfonylmethyl hydroxamic acids that, inter alia, inhibit matrix metalloproteinase (also known as “matrix metalloprotease” or “MMP”) activity and/or aggrecanase activity. Such hydroxamic acids generally correspond in structure to the following formula: (wherein A 1 , A 2 , Y, E 1 , E 2 , E 3 , and R x are as defined in this specification), and further include salts of such compounds. This invention also is directed to compositions of such hydroxamic acids, intermediates for the syntheses of such hydroxamic acids, methods for making such hydroxamic acids, and methods for treating conditions (particularly pathological conditions) associated with MMP activity and/or aggrecanase activity.

  这项发明通常涉及蛋白酶抑制剂（也称为“蛋白酶”），更具体地涉及哌啶基和哌嗪基磺酰甲基羟肟酸，该类化合物在结构上抑制基质金属蛋白酶（也称为“基质金属蛋白酶”或“MMP”）活性和/或聚集素酶活性。这类羟肟酸通常对应以下结构式： （其中A1、A2、Y、E1、E2、E3和Rx如本说明书中所定义），还包括这类化合物的盐。这项发明还涉及这类羟肟酸的组合物、合成这类羟肟酸的中间体、制备这类羟肟酸的方法，以及治疗与MMP活性和/或聚集素酶活性相关的疾病（特别是病理性疾病）的方法。
• [EN] 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF<br/>[FR] 2-CYANOPYRROLOPYRIMIDINES ET UTILISATIONS PHARMACEUTIQUES DE CELLES-CI
  申请人：NOVARTIS AG

  公开号：WO2004069256A1

  公开（公告）日：2004-08-19

  The invention relates to pyrrolo pyrimidines of formula (I), wherein Y represents -(CH2)t-O- or -(CH2)r-S-, p is 1 or 2, r is 1, 2 or 3, t is 1, 2 or 3, or Y is -(CH2)j- or -CH=CH-, j is 1 or 2; p is 1 or 2, or Y is -(CH2)f-, f is 1 or 2, p is 1, and the further radicals and symbols have the meaning as defined herein; their preparation, their use as pharmaceuticals, pharmaceutical compositions containing them, the use of such a compound for the manufacture of a pharmaceutical preparation for the treatment of neuropathic pain and to a method for the treatment of such a disease in animals, especially in humans.

  该发明涉及公式（I）中的吡咯嘧啶，其中Y代表-(CH2)t-O-或-(CH2)r-S-，p为1或2，r为1、2或3，t为1、2或3，或Y为-(CH2)j-或-CH=CH-，j为1或2；p为1或2，或Y为-(CH2)f-，f为1或2，p为1，以及进一步的基团和符号具有如本文所定义的含义；它们的制备，它们作为药物的用途，含有它们的药物组合物，利用这种化合物制备用于治疗神经病性疼痛的药物制剂的用途，以及用于治疗这种疾病的方法在动物中，尤其是在人类中。
• Development of highly active anti-<i>Pneumocystis</i>bisbenzamidines: insight into the influence of selected substituents on the<i>in vitro</i>activity
  作者：D. Maciejewska、J. Żabiński、M. Rezler、P. Kaźmierczak、M. S. Collins、L. Ficker、M. T. Cushion

  DOI：10.1039/c7md00445a

  日期：——

  4-bis(methylene)piperazine derivatives 1–5; 2) alkanediamide derivatives 6–10; 3) alkane-derived bisbenzamidines 11–21. IC50 values of 18 compounds were lower than the IC50 of pentamidine. Four bisamidines were active at nanogram concentrations. Introduction of sulfur atoms in the alkane bridge, replacement of the amidino groups with imidazoline rings, or attachment of nitro or amino groups to the benzene

  在这里，我们描述了 21 种喷他脒类似物在 ATP 生物发光测定中对抗真菌病原体卡氏肺囊虫的效力，并在 2 种哺乳动物细胞系中进行了毒性分析。将两个 5-甲基-1,2,4-恶二唑环的还原应用于酸不稳定双脒的合成。根据喷他脒先导结构的主要结构变化，在 3 组化合物的背景下讨论了抗肺孢子虫活性。这些组包括：1) 1,4-双(亚甲基)哌嗪衍生物1-5；2）链烷二酰胺衍生物6-10；3) 烷烃衍生的双苯甲脒 11-21。18种化合物的IC50值低于喷他脒的IC50。四种双脒在纳克浓度下具有活性。在烷桥中引入硫原子、用咪唑啉环取代脒基、或者将硝基或氨基连接到苯环上，是新的主要结构具有显着活性的原因。绝大多数化合物，包括四种高活性化合物，可归类为对宿主细胞温和或无毒的化合物。这些化合物有望成为新型抗肺孢子菌药物的候选者。