2-(氯甲基)-1-甲基哌啶 | 49665-74-9

• 物质功能分类: 有机原料 - 杂环化合物
• 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: 2-(氯甲基)-1-甲基哌啶
• 中文别名: 2-氨基-5-(2-氯乙基)嘧啶-4-醇
• 英文名称: 2-(chloromethyl)-N-methyl-piperidine
• 英文别名: 2-(chloromethyl)-1-methylpiperidine；1-methyl-2-chloromethylpiperidine；2-chloromethyl-1-methylpiperidine；N-methyl-2-chloromethylpiperidine；2-chloromethyl-1-methyl-piperidine；1-methyl-2-(chloromethyl) piperidine
• CAS: 49665-74-9
• 化学式: C₇H₁₄ClN
• 分子量: 147.648
• InChiKey: FGMRHGUEOYXVMX-UHFFFAOYSA-N

物化性质

• 沸点：
  67-68 °C(Press: 12 Torr)
• 密度：
  0.984±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于二氯甲烷、甲醇

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-(氯甲基)-1-甲基哌啶 在 盐酸 、 正丁基锂 、 四甲基乙二胺 、 [双(三氟乙酰氧基)碘]苯 作用下， 以 甲醇 为溶剂， 反应 7.5h， 生成 (+/-)-Sedaminone hydrochloride
  参考文献：
  名称：

  Rigidified acetylcholine mimics: conformational requirements for binding to neuronal nicotinic receptors

  摘要：

  Rigidified derivatives have been designed and synthesized assuming the g + t conformer of acetylcholine (N-C-C-O = + 60degrees, C-C-O-C = 180degrees) as active conformation for binding to cytisine sensitive neuronal nicotinic receptors. The SAR of the compounds evaluated, along with those of more flexible analogues, support the g + t conformer hypothesis and highlight the stringent steric limitation of this nicotinic receptor sub-type. Compound 3e has low muM affinity for cytisine sensitive nicotinic receptor binding sites while being selective with regard to the a-bungarotoxin sensitive subclass. We also report few compounds with muM affinity for the a-bungarotoxin sensitive subclass. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(03)00728-5
• 作为产物：
  描述：

  N-甲基哌嗪 在 氯化亚砜 作用下， 以 二氯甲烷 为溶剂， 反应 7.0h， 以58%的产率得到2-(氯甲基)-1-甲基哌啶
  参考文献：
  名称：

  使用基于片段的方法开发脓肿分枝杆菌 tRNA (m1G37) 甲基转移酶 (TrmD) 抑制剂。

  摘要：

  脓肿分枝杆菌 (Mab) 是一种快速增长的多重耐药非结核分枝杆菌，对囊性纤维化和其他已有慢性肺部疾病的患者构成越来越大的威胁。单克隆抗体肺部感染很难治疗，有时甚至不可能治疗，会导致肺功能加速衰退和过早死亡。因此，迫切需要开发具有改善功效的新型抗生素。tRNA (m1G37) 甲基转移酶 (TrmD) 是新型抗生素的一个有前景的靶标。它对于 Mab 和其他分枝杆菌至关重要，可改善核糖体上的读码框维护以防止移码错误。在这项工作中，采用基于片段的方法，合并与活性位点结合的两个片段，然后进行结构引导的精加工，以设计针对 Mab TrmD 的有效纳摩尔抑制剂。其中几种化合物对分枝杆菌物种表现出有希望的活性，除了 Mab 之外，还包括结核分枝杆菌和麻风分枝杆菌，支持使用 TrmD 作为开发抗分枝杆菌化合物的靶点。

  DOI：

  10.1021/acs.jmedchem.9b00809

文献信息

• Bicyclic heterocycles, the preparation thereof, and their use as
  申请人：Boehringer Ingelheim Pharma KG

  公开号：US06114532A1

  公开（公告）日：2000-09-05

  The present invention relates to 5-membered heterocyclic condensed benzoderivatives of formula ##STR1## wherein R.sub.a to R.sub.c, A, X and Y are defined as in claim 1, the tautomers, stereoisomers, mixtures thereof and the salts thereof, particularly the physiologically acceptable salts thereof with inorganic or organic acids or bases which have valuable properties. The compounds of the above formula I wherein R.sub.c denotes a cyano group are valuable intermediates for preparing the other compounds of formula I, and the compounds of the above formula I wherein R.sub.c denotes one of the following amidino groups and the tautomers and stereoisomers thereof have valuable pharmacological properties, particularly an antithrombotic activity.

  本发明涉及公式##STR1##的5-成员杂环融合苯衍生物，其中R.sub.a至R.sub.c，A，X和Y的定义如权利要求1中所定义，其互变异构体，立体异构体，其混合物及其盐，特别是其与具有有价值性质的无机或有机酸或碱的生理上可接受的盐。上述公式I中R.sub.c表示氰基的化合物是制备公式I的其他化合物的有价值中间体，上述公式I中R.sub.c表示以下氨基甲酰基基团之一的化合物及其互变异构体和立体异构体具有有价值的药理学性质，特别是抗血栓活性。
• 3-Substituted-4-aminoalkoxy-5,6-condensed ring-2-pyranones
  申请人：LIPHA, Lyonnaise Industrielle Pharmaceutique

  公开号：US04230850A1

  公开（公告）日：1980-10-28

  Novel 3-substituted-4-aminoalkoxy-5,6-condensed ring-2-pyranones are disclosed as having utility as pharmacologically active compounds, in particular vasodilatory, hypotensive, anti-ischemic and anti-tussive activity. The compounds may be 3-phenyl-4-morpholinoalkoxy-coumarins. Administration may be by the oral or parenteral route. Intermediates useful in the production of these compounds are also disclosed.

  新颖的3-取代-4-氨基烷氧基-5,6-环化-2-吡喃酮被披露为具有药理活性化合物的效用，特别是血管扩张、降压、抗缺血和镇咳活性。这些化合物可能是3-苯基-4-吗啡基烷氧基-香豆素。可以通过口服或静脉注射途径进行给药。还披露了在这些化合物生产中有用的中间体。
• Pyrazolyl derivatives, preparation process and intermediates of this process as medicinal products and pharmaceutical compositions containing them
  申请人：Genevois-Borella Arielle

  公开号：US20050165005A1

  公开（公告）日：2005-07-28

  The present invention relates to the novel derivatives of formula (I) in which A is, if it is present, a (C1-C6) alkyl, a (C3-C6) alkenyl, a (C3-C6) alkynyl, a (C3-C7) cycloalkyl or a (C5-C7) cycloalkenyl, R1 is an NR6R7, (C4-C7) azacycloalkyl, (C5-C7) azacycloalkenyl, (C5-C9) azabicycloalkyl or (C5-C9) azabicycloalkenyl group; A-R1 is such that the nitrogen of R1 and the nitrogen in the 1-position of the pyrazole are necessarily separated by at least two carbon atoms, R3 is an H, halogen, OH, SH, NH 2 , ORc, SRc, SORa, SO 2 Ra, NHCHO, NRaRb, NHC(O)Ra, NHC(S)Ra or NHSO 2 Ra, R4 is an aryl or heteroaryl; and R5 is an H, halogen, CF 3 , CHF 2 , CH 2 F, linear or branched (C1-C6) alkyl or (C3-C7) cycloalkyl to their racemates, enantiomers and diastereoisomers and to their mixtures, their tautomers and to their pharmaceutically acceptable salts.

  本发明涉及公式(I)的新颖衍生物，其中A是，如果存在的话，(C1-C6)烷基，(C3-C6)烯基，(C3-C6)炔基，(C3-C7)环烷基或(C5-C7)环烯基，R1是NR6R7，(C4-C7)氮杂环烷基，(C5-C7)氮杂环烯基，(C5-C9)氮杂双环烷基或(C5-C9)氮杂双环烯基；A-R1是这样的，即R1的氮原子和吡唑的1位的氮原子之间至少被两个碳原子分隔，R3是H，卤素，OH，SH，NH2，ORc，SRc，SORa，SO2Ra，NHCHO，NRaRb，NHC(O)Ra，NHC(S)Ra或NHSO2Ra，R4是芳基或杂芳基；R5是H，卤素，CF3，CHF2，CH2F，直链或支链(C1-C6)烷基或(C3-C7)环烷基，它们的外消旋体、对映体和非对映异构体，以及它们的混合物，它们的互变异构体和它们的药学上可接受的盐。
• Inhibitory Effect of 2-(E-2-Alkenoylamino)ethyl Alkyl Sulfides on Gastric Ulceration in Rats. II. Structure and Activity Relationships of 2-(E-n or Z-n-Decenoylamino)ethyl Alkyl Sulfides.
  作者：Isao KOHDA、Masakazu IWAI、Masahiro WATANABE、Yoshio ARAKAWA、Chikara FUKAYA、Kazumasa YOKOYAMA、Yasuhiro KOHAMA、Tsutomu MIMURA

  DOI：10.1248/cpb.39.1546

  日期：——

  The analogues of 2-(E-n or Z-n-decenoylamino)ethyl carbamoylmethyl sulfide, including the modifications of sulfide portion, double bond in decenoyl chain and alkyl sulfide moiety, were synthesized and their inhibitory effects on stress-induced ulceration in rats were compared.Replacing the sulfura atom by methylene group or oxygen atom reduced the effect of potency. Saturation of the double bond in the decenoyl chain tended to reduce the anti-ulcerogenic activity in rats. There was no relationship between the position of double bond in decenoyl chain and the pharmacological activity. On the other hand, compounds with E-configuration showed stronger anti-ulcer activity than the corresponding Z-type of compounds. Among 9 kinds of S substituted alkyl groups for carbamoylmethyl, 2-(E-2-decenoylamino)ethyl 2-cyclohexylethyl sulfide showed the most potent anti-ulcerogenic activity in rats and also showed the lowest acute toxicity in mice.

  2-(E型或Z型n-癸烯酰氨基)乙基氨基甲酰甲硫醚类似物，包括硫醚部分、癸烯酰链中的双键以及烷基硫醚部分的修饰，被合成并比较了它们对大鼠应激性溃疡的抑制作用。用甲撑基或氧原子取代硫原子会降低药效。饱和癸烯酰链中的双键倾向于降低抗溃疡活性。癸烯酰链中双键的位置与药理活性没有关系。另一方面，具有E型构型的化合物显示出比相应的Z型化合物更强的抗溃疡活性。在9种S取代的烷基中，2-(E-2-癸烯酰氨基)乙基2-环己基乙基硫醚在大鼠中显示出最强的抗溃疡活性，在小鼠中也显示出最低的急性毒性。
• SUBSTITUTED 1-AMINOPHTHALAZINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC APPLICATION THEREOF
  申请人：AUGEREAU Jean Michel

  公开号：US20090124624A1

  公开（公告）日：2009-05-14

  The invention concerns 1-amino-phthalazine derivatives of general formula (I): Wherein A, B, L, R, R 1 , R 2 , R 3 , R 4 , R 5 and R 7 are as defined herein. The invention also concerns the preparation of said compounds and their therapeutic use.

  这项发明涉及一般式(I)的1-氨基邻苯二酮衍生物：其中A、B、L、R、R1、R2、R3、R4、R5和R7如本文所定义。该发明还涉及所述化合物的制备及其治疗用途。