二甲基肼吡啶

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 二甲基肼吡啶
• 中文别名: 对称二甲肼盐酸盐；1,2-二甲基肼二盐酸盐；1,2-二甲基肼二盐酸；N,N-二甲基肼二盐酸盐；1,2-二甲肼盐酸盐；二甲基肼吡啶二盐酸盐
• 英文名称: 1,2-dimethylhydrazine;hydron;dichloride
• 化学式: C2H10Cl2N2
• mdl: MFCD00012522
• 分子量: 133.02
• InChiKey: WLDRFJDGKMTPPV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.59
• 重原子数：
  6
• 可旋转键数：
  1
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  24.1
• 氢给体数：
  4
• 氢受体数：
  2

ADMET

毒理性

• 副作用

神经毒素 - 其他中枢神经系统神经毒素 职业性肝毒素 - 继发性肝毒素：职业环境中潜在的有毒效应基于人类摄入或动物实验的中毒案例。 高铁血红蛋白血症 - 血液中高铁血红蛋白含量增加；该化合物被归类为继发性毒性效应 溶血性贫血 - 血红蛋白减少或红细胞数量减少。 生殖毒素 - 对生殖系统有毒的化学物质，包括后代缺陷以及对男性或女性生殖功能的损害。生殖毒性包括发育效应。参见生殖毒性风险评估指南。 皮肤毒素 - 皮肤烧伤。 国际癌症研究机构致癌物 - 2类：国际癌症研究机构将化学物质分类为可能的（2a）或潜在的（2b）人类致癌物。

Neurotoxin - Other CNS neurotoxin Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect Hemolytic anemia - Decreased hemoglobin or number of red blood cells. Reproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment. Dermatotoxin - Skin burns. IARC Carcinogen - Class 2: International Agency for Research on Cancer classifies chemicals as probable (2a), or possible (2b) human carcinogens.

来源:Haz-Map, Information on Hazardous Chemicals and Occupational Diseases

反应信息

• 作为反应物：
  描述：

  二甲基肼吡啶 、 氯乙酸酐 以78%的产率得到
  参考文献：
  名称：

  SINGH, RAJEEVA;WHITESIDES, GEORGE M., J. ORG. CHEM., 56,(1991) N, C. 2332-2337

  摘要：

  DOI：
• 作为试剂：
  描述：

  2,2,4,4,6-五甲基-2,3,4,5-四氢嘧啶 、 水 、 盐酸 在 二甲基肼吡啶 丙酮 作用下， 以 丙酮 为溶剂， 反应 15.0h， 以to give 72.2 g of triacetonamine hydrochloride的产率得到2,2,6,6-四甲基哌啶酮盐酸盐
  参考文献：
  名称：

  Process for preparing 2,2,6,6-Tetramethyl-4-oxopiperidine

  摘要：

  本发明公开了一种制备2,2,6,6-四甲基-4-氧代哌啶（三乙酰基胺）的方法，其中一个肼类盐催化一个丙酮类化合物，例如丙酮或丙酮二醇，与一个氨供体化合物，例如氨或2,2,4,4,6-五甲基-1,2,5,6-四氢嘧啶（乙酰胺）反应。

  公开号：

  US04252958A1

文献信息

• New Histidyl amino acid derivatives, and pharmaceutical composition
  申请人：Fujisawa Pharmaceutical Co., Ltd.

  公开号：US04921855A1

  公开（公告）日：1990-05-01

  A compound of the formula: ##STR1## wherein R.sup.1 is lower alkyl optionally substituted with a substituent selected from the group consisting of acyl, hydroxy, lower alkoxy, aryl, lower alkylthio and a group of the formula: ##STR2## in which R.sup.5 is hydrogen or acyl and R.sup.6 is hydrogen or lower alkyl; aryl; or amino optionally substituted with substituent(s) selected from the group consisting of lower alkyl and acyl; and R.sup.2 is hydrogen or lower alkyl; or R.sup.1 and R.sup.2 are taken together with the attached nitrogen atom to form a heterocyclic group optionally substituted with substituent(s) selected from the group consisting of lower alkyl, hydroxy(lower )alkyl, lower alkoxy(lower)alkyl, acyl(lower)alkyl, oxo and acyl; R.sup.3 is hydrogen or lower alkyl; and R.sup.4 is lower alkyl; and its pharmaceutically acceptable salt, processes for the preparation thereof and pharmaceutical composition comprising the same.

  一种化合物的化学式如下：##STR1## 其中R.sup.1是较低的烷基，可选择性地被选自以下群组的取代基取代，所述群组包括酰基、羟基、较低的烷氧基、芳基、较低的烷基硫基和化学式为：##STR2## 其中R.sup.5是氢或酰基，R.sup.6是氢或较低的烷基；芳基；或氨基，可选择性地被选自以下群组的取代基取代，所述群组包括较低的烷基和酰基；R.sup.2是氢或较低的烷基；或R.sup.1和R.sup.2与所连接的氮原子一起形成杂环基，可选择性地被选自以下群组的取代基取代，所述群组包括较低的烷基、羟基（较低的）烷基、较低的烷氧基（较低的）烷基、酰基（较低的）烷基、氧代和酰基；R.sup.3是氢或较低的烷基；R.sup.4是较低的烷基；以及其药学上可接受的盐，其制备方法和包含其的制药组合物。
• Novel sulfonyl derivatives
  申请人：DAIICHI PHARMACEUTICAL CO., LTD.

  公开号：US20040082611A1

  公开（公告）日：2004-04-29

  Described in the present invention are a sulfonyl derivative represented by the following formula (I): Q 1 -Q 2 -T 1 -Q 3 -SO 2 -Q A (I) [wherein Q 1 represents a saturated or unsaturated 5- or 6-membered cyclic hydrocarbon group, 5- or 6-membered heterocyclic group, dicyclic fused ring or tricyclic fused ring group which may have a substituent; Q 2 represents a single bond, an oxygen atom, a sulfur atom, a linear or branched C 1-6 alkylene group or the like; Q A represents an arylalkenyl group which may have a substituent or a heteroarylalkenyl group which may have a substituent; and T 1 represents a carbonyl group or the like] and a medicament comprising the same. The compound has strong FXa inhibitory action, provides prompt, sufficient and long-lasting anti-thrombus effects when orally administered, and has low side effects and is therefore useful as an excellent anticoagulant.

  本发明描述了一种由以下式(I)表示的磺酰基衍生物： Q1-Q2-T1-Q3-SO2-QA(I) [其中，Q1表示饱和或不饱和的5-或6-环烃基、5-或6-杂环基、二环融合环或三环融合环基，可能具有取代基；Q2表示单键、氧原子、硫原子、线性或支链的C1-6烷基等；QA表示可能具有取代基的芳基烯基或杂芳基烯基；T1表示羰基基团或类似物]，以及包含该化合物的药物。该化合物具有强烈的FXa抑制作用，口服后提供快速、充分和持久的抗血栓效果，并且具有低副作用，因此可用作优秀的抗凝剂。
• Sulfonylhydrazines and their use as antineoplastic agents and as
  申请人：Yale University

  公开号：US05214068A1

  公开（公告）日：1993-05-25

  Sulfonylhydrazines of the formula RSO.sub.2 N(CH.sub.2 CH.sub.2 X)N(SO.sub.2 CH.sub.3).sub.2, wherein R is an alkyl or an aryl and X is a halogen or OSO.sub.2 Y, wherein Y is an alkyl or an aryl. Such sulfonylhydrazines are useful in treating cancer. Methylating agents of the formula (a) R'SO.sub.2 N(CH.sub.3)N(SO.sub.2 CH.sub.3).sub.2, wherein R' is an alkyl or an aryl and (b) R"SO.sub.2 N(CH.sub.3)N(CH.sub.3)SO.sub.2 R", wherein R" is an alkyl or an aryl. Such methylating agents are useful as antitrypanosomal and anticancer agents.

  式为RSO.sub.2 N(CH.sub.2 CH.sub.2 X)N(SO.sub.2 CH.sub.3).sub.2的磺酰肼，其中R是烷基或芳基，X是卤素或OSO.sub.2 Y，其中Y是烷基或芳基。这种磺酰肼对治疗癌症有用。式为(a) R'SO.sub.2 N(CH.sub.3)N(SO.sub.2 CH.sub.3).sub.2的甲基化剂，其中R'是烷基或芳基，以及(b) R"SO.sub.2 N(CH.sub.3)N(CH.sub.3)SO.sub.2 R"的甲基化剂，其中R"是烷基或芳基。这种甲基化剂对治疗锥虫病和癌症有用。
• Amino acid derivatives, processes for the preparation thereof and
  申请人：Ujisawa Pharmaceutical Co., Ltd.

  公开号：US05223489A1

  公开（公告）日：1993-06-29

  A compound of the formula: ##STR1## wherein R.sup.1 is lower alkyl optionally substituted aryl; or amino optionally substituted; and R.sup.2 is hydrogen or lower alkyl; or R.sup.1 and R.sup.2 are taken together with the attached nitrogen atom to form a heterocyclic group optionally substituted; R.sup.3 is hydrogen or lower alkyl; and R.sup.4 is lower alkyl; and its pharmaceutically acceptable salt, processes for the preparation thereof and pharmaceutical composition comprising the same

  一种化合物的公式：##STR1##其中R.sup.1是低碳基可选择取代芳基; 或氨基可选择取代; R.sup.2是氢或低碳基; 或R.sup.1和R.sup.2与所连接的氮原子一起形成可选择取代的杂环基团; R.sup.3是氢或低碳基; R.sup.4是低碳基; 以及其药学上可接受的盐，其制备方法和包含该化合物的药物组成物。
• Nematicidal use of hydrazinecarboxamides and carbothioamides
  申请人：FMC Corporation

  公开号：US04514419A1

  公开（公告）日：1985-04-30

  Hydrazinecarboxamides and carbothioamides of the formula ##STR1## wherein R.sub.1 is selected from alkyl, cyanoalkyl, hydroxyalkyl, and benzyl, R.sub.2 is hydrogen or alkyl, Y is oxygen or sulfur, n is 0-5, and Z is substituted for hydrogen and independently selected from halogen, alkyl, alkoxy, phenoxy, trifluoromethyl, and nitro are useful as nematicides when applied to or incorporated into nematode-infested soil.

  公式为##STR1##的肼酰胺和硫代肼酰胺，其中R.sub.1选自烷基，氰基烷基，羟基烷基和苄基，R.sub.2为氢或烷基，Y为氧或硫，n为0-5，Z代替氢并独立地选自卤素，烷基，烷氧基，苯氧基，三氟甲基和硝基，当应用于或并入寄生线虫的土壤时，可用作线虫杀剂。

表征谱图