1,5-二甲基哌嗪-2-酮 | 74879-13-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 1,5-二甲基哌嗪-2-酮
• 英文名称: 1,5-dimethylpiperazin-2-one
• CAS: 74879-13-3
• 化学式: C₆H₁₂N₂O
• mdl: MFCD09878622
• 分子量: 128.174
• InChiKey: TUXCFTFFNGQODI-UHFFFAOYSA-N

物化性质

• 沸点：
  243℃
• 密度：
  0.985
• 闪点：
  101℃

计算性质

• 辛醇/水分配系数(LogP)：
  -0.5
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2933599090

反应信息

• 作为反应物：
  描述：

  1,5-二甲基哌嗪-2-酮 在 盐酸 、 红铝 、 silver(l) oxide 作用下， 以 苯 为溶剂， 生成 (+)-1,2,4-trimethylpiperazinium dichloride
  参考文献：
  名称：

  通过酶促还原6-甲基-7,8-二氢蝶呤产生的6-甲基-5,6,7,8-四氢蝶呤的绝对构型

  摘要：

  二氢叶酸还原酶（5,6,7,8-四氢叶酸：NADP氧化还原酶，EC1.5.1.3。）和NADPH，它们可催化立体定向地还原7,8-二氢叶酸（1），得到一种5,6,7的非对映异构体， 7,8-四氢叶酸（3）还催化6-甲基-7,8-二氢蝶呤（2）立体定向还原为（-）-6-甲基-5,6,7,8-四氢蝶呤（4）；在蝶呤（的C-6的绝对构4）被示出为小号通过与相关小号-丙氨酸使用一系列甲基化，降解和合成，并且如果最可能的假设是这两个反应的立体特异性相同，则酶产生的C-6的绝对构型为5,6,7,8 -四氢叶酸应该是小号。

  DOI：

  10.1039/c39800000334
• 作为产物：
  描述：

  1,5-dimethylpyrazin-2-one 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 生成 1,5-二甲基哌嗪-2-酮
  参考文献：
  名称：

  通过酶促还原6-甲基-7,8-二氢蝶呤产生的6-甲基-5,6,7,8-四氢蝶呤的绝对构型

  摘要：

  二氢叶酸还原酶（5,6,7,8-四氢叶酸：NADP氧化还原酶，EC1.5.1.3。）和NADPH，它们可催化立体定向地还原7,8-二氢叶酸（1），得到一种5,6,7的非对映异构体， 7,8-四氢叶酸（3）还催化6-甲基-7,8-二氢蝶呤（2）立体定向还原为（-）-6-甲基-5,6,7,8-四氢蝶呤（4）；在蝶呤（的C-6的绝对构4）被示出为小号通过与相关小号-丙氨酸使用一系列甲基化，降解和合成，并且如果最可能的假设是这两个反应的立体特异性相同，则酶产生的C-6的绝对构型为5,6,7,8 -四氢叶酸应该是小号。

  DOI：

  10.1039/c39800000334

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。
• [EN] BET INHIBITORS FOR MODULATING DUX4 EXPRESSION IN FSHD<br/>[FR] INHIBITEURS DE BET POUR MODULER L'EXPRESSION DE DUX4 DANS LA FSHD
  申请人：UNIV SAINT LOUIS

  公开号：WO2020132004A1

  公开（公告）日：2020-06-25

  The present disclosure provides BET inhibitors of the formula: wherein the variables are defined herein, as well as pharmaceutical compositions thereof. The present disclosure also provides methods of treating a patient comprising administering a bromo- and extra-terminal (BET) domain inhibitor for the treatment of FSHD which modulates DUX4 expression. In some embodiments, the present methods comprise using one or more BET inhibitors as a therapeutic agent for the treatment of FSHD patients including patients who are being treated with one or more palliative treatments such as therapy and/or agents which lead to increased muscle mass.

  本公开提供了以下式的BET抑制剂：其中变量在此处定义，以及其药物组合物。本公开还提供了治疗患者的方法，包括给予溴和额外端（BET）结构域抑制剂治疗FSHD以调节DUX4表达。在某些实施例中，本方法包括使用一个或多个BET抑制剂作为FSHD患者的治疗剂，包括正在接受一种或多种缓解治疗（如治疗和/或导致肌肉增加的药物）的患者。
• Two-Step Synthesis of 3,4-Dihydropyrrolopyrazinones from Ketones and Piperazin-2-ones
  作者：Cosme Sandoval、Ngiap-Kie Lim、Haiming Zhang

  DOI：10.1021/acs.orglett.8b00197

  日期：2018.2.16

  An expedient two-step synthesis of 3,4-dihydropyrrolopyrazinones has been achieved via a Vilsmeier–Haack reaction of ketones, followed by an annulation of the corresponding chloroaldehydes with commercially available piperazin-2-ones. A variety of cyclic and acyclic ketones and piperazin-2-ones participated in this two-step chemistry, affording the desired 3,4-dihydropyrrolopyrazinones in up to 78%

  通过酮的Vilsmeier-Haack反应，然后将相应的氯醛与市售的哌嗪-2-酮环合，已实现了3,4-二氢吡咯并吡嗪并酮的便捷两步合成。多种环状和无环酮以及哌嗪-2-酮参与了该两步化学反应，从而以高达78％的收率提供了所需的3,4-二氢吡咯并吡嗪酮。
• Pyrazole Derivatives
  申请人：Kanaya Naoaki

  公开号：US20080064682A1

  公开（公告）日：2008-03-13

  A compound represented by formula (I): (wherein Ar 1 represents a phenyl group which may have 1 to 3 substituents, or a non-substituted 5- or 6-membered aromatic heterocyclic group; Ar 2 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, a 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.

  化合物的化学式为(I)：其中Ar1代表一个苯基，它可能有1到3个取代基，或者是一个非取代的5-或6-成员的芳香杂环基；Ar2代表(i)一个非取代的苯基，(ii)一个已经被1到3个来自羰基基团、氨基基团、羟基基团、低级烷氧基团和卤原子的较低烷基取代的苯基，或者(iii)一个已经被1到3个来自较低烷基、较低炔基、较低烷酰基、羰基基团、氰基基团、氨基基团、羟基基团、低级烷氧基团和卤原子的取代的5-或6-成员的含氮芳香杂环基；X代表一个化学式(II)所代表的基团：(其中环结构代表一个4-到7-成员的杂环基，它可能有除了在化学式(II)中显示的氮原子之外的一个来自氮、氧、硫的杂原子，它可能被1到4个来自较低烷基、羰基基团、氨基基团、羟基基团、低级烷氧基团、氧基基团、较低烷酰基、较低烷基磺酰基和卤原子的取代基所取代)，它的盐、该化合物或其盐的溶剂化物，以及药物。
• Hiv Integrase Inhibitors
  申请人：Wai John S.

  公开号：US20080287394A1

  公开（公告）日：2008-11-20

  Hydroxy-substituted pyrazinopyrrolopyridazine dione compounds are inhibitors of HIV integrase and inhibitors of HIV replication. In one embodiment, the dione compounds are of Formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 and R 7 are defined herein. The compounds are useful in the prevention and treatment of infection by HIV and in the prevention, delay in the onset, and treatment of AIDS. The compounds are employed against HIV infection and AIDS as compounds per se or in the form of pharmaceutically acceptable salts. The compounds and their salts can be employed as ingredients in pharmaceutical compositions, optionally in combination with other antivirals, immunomodulators, antibiotics or vaccines.

  羟基取代的吡嗪吡咯吡啶二酮化合物是HIV整合酶的抑制剂和HIV复制的抑制剂。在一种实施例中，二酮化合物是公式（I）中的化合物，其中R1，R2，R3，R4，R5，R6和R7在此被定义。这些化合物对于预防和治疗HIV感染以及预防、延缓和治疗艾滋病非常有用。这些化合物作为化合物本身或作为药物可接受的盐的形式用于对抗HIV感染和艾滋病。这些化合物及其盐可以作为药物组成部分使用，可选地与其他抗病毒药物、免疫调节剂、抗生素或疫苗组合使用。