2-甲基-1,4-二氮杂环庚烷 | 65974-17-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂卓
• 中文名称: 2-甲基-1,4-二氮杂环庚烷
• 中文别名: 2-甲基-[1,4]二氮杂烷
• 英文名称: 2-methylhomopiperazine
• 英文别名: 2-Methyl-homopiperazin；2-Methyl-hexahydro-1H-1,4-diazepine；2-methyl-[1,4]diazepane；2-methyl-hexahydro-[1,4]diazepine；hexahydro-2-methyl-1H-1,4-diazepine；2-Methyl-hexahydro-[1,4]diazepin；2-methylperhydro-1,4-diazepine；2-Methyl-1,4-diazepane
• CAS: 65974-17-6
• 化学式: C₆H₁₄N₂
• 分子量: 114.191
• InChiKey: KMRLPKVQSAHVSQ-UHFFFAOYSA-N

物化性质

• 沸点：
  68-69 °C(Press: 18 Torr)
• 密度：
  0.838±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 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：
  24.1
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  2-甲基-1,4-二氮杂环庚烷 生成 3-甲基-1,4-二氮杂环庚烷-1-甲酰基叔丁酯
  参考文献：
  名称：

  Isoquinoline derivatives and drugs

  摘要：

  该发明涉及以下一般式[I]的化合物或其药用可接受的盐或其溶剂化合物，其中R.sup.1代表烷基，烯基，炔基，烷氧基，羟基，氰基或卤素；R.sup.2代表氢，羟基或卤素；R.sup.3代表氢，烷基或酰胺基；环A代表一个5到11个成员的环状氨基团，该氨基团可能被取代，该环状氨基团可能在可选位置之间由两个碳原子桥接。该发明的化合物可用于预防或治疗由于蛛网膜下腔出血后脑血管痉挛引起的脑组织损伤。

  公开号：

  US06153608A1
• 作为产物：
  描述：

  3-Methyl-hexahydro-1H-1,4-diazepin-2-one 在 sodium hydroxide 作用下， 生成 2-甲基-1,4-二氮杂环庚烷
  参考文献：
  名称：

  EP1074545

  摘要：

  公开号：

文献信息

• PYRAZOLE DERIVATIVES
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：EP1762568A1

  公开（公告）日：2007-03-14

  A compound represented by formula (I): (wherein Ar1 represents a phenyl group which may have 1 to 3 substituents, or a non-substituted 5- or 6-membered aromatic heterocyclic group; Ar2 represents (i) a non-substituted phenyl group, (ii) a phenyl group which has been substituted by a lower alkyl group having 1 to 3 groups or atoms selected from among a carbamoyl group, an amino group, a hydroxyl group, a lower alkoxy group, and a halogen atom, or (iii) a 5- or 6-membered nitrogen-containing aromatic heterocyclic group which has been substituted by 1 to 3 groups or atoms selected from among a lower alkyl group, a lower alkynyl group, a lower alkanoyl group, a carbamoyl group, a cyano group, an amino group, a hydroxyl group, a lower alkoxy group, and a halogen atom; and X represents a group represented by formula (II): (wherein the ring structure represents a 4- to 7-membered heterocyclic group which may have, in addition to the nitrogen atom shown in formula (II), one heteroatom selected from among nitrogen, oxygen, and sulfur, and which may be substituted by 1 to 4 groups or atoms selected from among a lower alkyl group, a carbamoyl group, an amino group, a hydroxyl group, a lower alkoxy group, an oxo group, a lower alkanoyl group, a lower alkylsulfonyl group, and a halogen atom)), a salt thereof, a solvate of the compound or the salt, and a drug.

  由式(I)表示的化合物： （其中Ar1代表可能具有1到3个取代基的苯基，或者是非取代的5-或6-成员芳香杂环基团；Ar2代表（i）非取代的苯基团，（ii）已被1到3个来自羰胺基、氨基、羟基、低烷氧基和卤原子的群或原子取代的较低烷基基团取代的苯基团，或者（iii）已被1到3个来自低烷基基团、低炔基基团、低烷酰基团、羰胺基、氰基、氨基、羟基、低烷氧基和卤原子的群或原子取代的5-或6-成员含氮芳香杂环基团；X代表由式(II)表示的基团： （其中环结构表示可能具有除了式(II)中显示的氮原子之外，从氮、氧和硫中选择的一个杂原子的4-到7-成员杂环基团，并且可能被1到4个来自低烷基基团、羰胺基、氨基、羟基、低烷氧基、氧基、低烷酰基团、低烷基磺酰基团和卤原子的群或原子取代）），其盐，该化合物或其盐的溶剂化合物，以及药物。
• Biocatalytic Access to Piperazines from Diamines and Dicarbonyls
  作者：Niels Borlinghaus、Sebastian Gergel、Bettina M. Nestl

  DOI：10.1021/acscatal.8b00291

  日期：2018.4.6

  Given the widespread importance of piperazines as building blocks for the production of pharmaceuticals, an efficient and selective synthesis is highly desirable. Here we show the direct synthesis of piperazines from 1,2-dicarbonyl and 1,2-diamine substrates using the R-selective imine reductase from Myxococcus stipitatus as biocatalyst. Various N- and C-substituted piperazines with high activity and excellent

  考虑到哌嗪作为生产药物的基础材料的广泛重要性，非常需要有效和选择性的合成。在这里，我们显示了使用来自粘球菌的R-选择性亚胺还原酶作为生物催化剂，从1,2-二羰基和1,2-二胺底物直接合成哌嗪的方法。在温和的反应条件下获得了高达每升8.1克的各种具有高活性和优异对映选择性的N和C取代的哌嗪。
• HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS
  申请人：Turner Sean Colm

  公开号：US20120172376A1

  公开（公告）日：2012-07-05

  The present invention relates to novel heterocyclic compounds of formula I wherein the variables are as defined in the claims or the description, which are useful for inhibiting glycogen synthase kinase 3 (GSK-3), compositions containing the compounds, their use for preparing a medicament for the treatment of a medical disorder susceptible to the treatment with a compound that modulates, preferably inhibits, the activity of glycogen synthase kinase 3β, and methods of treatment of medical disorders susceptible to treatment with a compound that modulates glycogen synthase kinase 3β activity using the compounds.

  本发明涉及式I的新颖杂环化合物，其中变量如权利要求或说明书中所定义，这些化合物可用于抑制糖原合酶激酶3（GSK-3），包含这些化合物的组合物，以及使用这些化合物制备用于治疗对调节、优选抑制GSK-3β活性化合物敏感的医疗病症的药物的用途，以及使用这些化合物治疗对调节GSK-3β活性化合物敏感的医疗病症的方法。
• [EN] COMPOUNDS, THEIR PHARMACEUTICAL COMPOSITIONS AND THEIR USES AS IDH1 MUTANTS INHIBITORS FOR TREATING CANCERS<br/>[FR] COMPOSÉS, COMPOSITIONS PHARMACEUTIQUES DE CEUX-CI ET UTILISATION DE CES COMPOSÉS COMME INHIBITEURS MUTANTS D'IDH1 DANS LE TRAITEMENT DE CANCERS
  申请人：AGIOS PHARMACEUTICALS INC

  公开号：WO2012171506A1

  公开（公告）日：2012-12-20

  Provided are compounds of formula (I), wherein X, Y, Z, W, V, R2, R3 and m are defined as in the description. Their pharmaceutical compositions and their uses as IDH1 mutants inhibitors for treating cancers are also provided.

  提供了公式（I）的化合物，其中X、Y、Z、W、V、R2、R3和m的定义如描述中所述。还提供了它们的药物组合物以及它们作为IDH1突变体抑制剂用于治疗癌症的用途。
• [EN] NOVEL CHOLINE KINASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE CHOLINE KINASE
  申请人：ARIAD PHARMA INC

  公开号：WO2014151761A1

  公开（公告）日：2014-09-25

  This invention relates to compounds of the general formula (I): in which the variable groups are as identified herein, and to preparation and use of the compounds.

  这项发明涉及通式（I）的化合物，其中变量基团如本说明中所识别的，并涉及该化合物的制备和使用。