3-甲基丁酰胺 | 67777-12-2

• 分子结构分类: 有机化合物 - 有机氮化合物
• 中文名称: 3-甲基丁酰胺
• 英文名称: isobutyl amidine
• 英文别名: isovaleramidine；3-methyl-butyramidine；3-methylbutanamidine；3-Methylbutanimidamide
• CAS: 67777-12-2
• 化学式: C₅H₁₂N₂
• mdl: MFCD05663314
• 分子量: 100.164
• InChiKey: NWMAYMXDONWXTE-UHFFFAOYSA-N

物化性质

• 沸点：
  134.3±23.0 °C(Predicted)
• 密度：
  0.95±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  7
• 可旋转键数：
  2
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  49.9
• 氢给体数：
  2
• 氢受体数：
  1

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  3-甲基丁酰胺 在 potassium carbonate 作用下， 以 二苯醚 为溶剂， 生成 4-acetylamino-N-(3-isobutyl-[1,2,4]thiadiazol-5-yl)-benzenesulfonamide
  参考文献：
  名称：

  WOERFFEL; BEHNISCH, Archiv der Pharmazie, 1962, vol. 295 /67, p. 811 - 816

  摘要：

  DOI：
• 作为产物：
  描述：

  异戊腈 在 盐酸 、 氨 作用下， 以 乙醇 为溶剂， 反应 90.0h， 生成 3-甲基丁酰胺
  参考文献：
  名称：

  Inhibitors of human nitric oxide synthase isoforms with the carbamidine moiety as a common structural element

  摘要：

  Identification of potent and selective inhibitors of inducible nitric oxide synthase (NOS) is of great interest because of their therapeutic potential for treatment of diseases mediated by excess production of nitric oxide. We present here a comparison of potency and selectivity for amino acid and nonamino acid based compounds as inhibitors of human inducible, human endothelial constitutive and human neuronal constitutive NOS isoforms. In addition, a novel series of substituted amidines has been identified as NOS inhibitors. 2-Methylthioacetamidine and 2-thienylcarbamidine were the most potent of the series examined with IC50 values of 3.9 and 2.9 mu M for human neuronal constitutive NOS. Cyclopropylcarbamidine and 2-thienylcarbamidine were the most potent inhibitors for human inducible NOS with IC50 values of 5.2 and 6.5 mu M, respectively. These substituted amidines represent a new class of NOS inhibitors acid provide a foundation for potential therapeutic agents. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0968-0896(96)00148-4

文献信息

• Styrylamidines
  申请人：Mead Johnson & Company

  公开号：US04052455A1

  公开（公告）日：1977-10-04

  Styrylamidines are prepared by treating styrylsulfonylamidines with base. The styrylamidines are effective in the prevention of aggregation of blood platelets and as analgesics. Compounds of the invention are also useful as anticonvulsants, diuretics and antihypertensive agents. The styrylsulfonylamidines of the invention which serve as precursors to the styrylamidines also have analgesic properties. Illustrative of the styrylamidines of the present invention are 4-amino-N-(4-aminostyryl)benzamidine and N-(3,4-dichlorostyryl)acetamidine. An example of a styrylsulfonylamidine is N-(styrylsulfonyl)acetamidine.

  Styrylamidines是通过用碱处理styrylsulfonylamidines制备的。这些styrylamidines在预防血小板聚集和作为止痛药方面非常有效。该发明的化合物还可用作抗癫痫药、利尿剂和降压药。该发明的styrylsulfonylamidines作为styrylamidines的前体也具有止痛特性。本发明的styrylamidines的示例包括4-氨基-N-(4-氨基styryl)苯胺和N-(3,4-二氯styryl)乙酰胺。styrylsulfonylamidine的一个例子是N-(styrylsulfonyl)乙酰胺。
• A New Synthesis of 5-Vinylpyrimidines
  作者：Vratislav Kvita

  DOI：10.1055/s-1986-31782

  日期：——

  5- Vinylpyrimidines are prepared by the reaction of 5-formyl-2-pyrones with amidines

  5-乙烯基嘧啶是通过5-甲醛-2-吡喃酮与酰胺反应制备的。
• Inhibitors of TNFalpha, PDE4 and B-RAF, compositions thereof and methods of use therewith
  申请人：McKenna M. Jeffrey

  公开号：US20080004271A1

  公开（公告）日：2008-01-03

  Provided herein are compounds having TNFα and/or PDE4 and/or B-RAF inhibitory activity, and compositions thereof. In particular, provided herein are compounds of the formula I: and pharmaceutically acceptable salts, solvates, hydrates, clathrates, stereoisomers, polymorphs and prodrugs thereof, wherein Ar, R 1 , R 2 , R 3 , R 4 , n and Z are as described herein. Further provided herein are methods for treating or preventing various diseases and disorders by administering to a patient one or more TNFα and/or PDE4 and/or B-RAF inhibitors. In particular, provided herein are methods for preventing or treating cancer, inflammatory disorders, cognition and memory disorders and autoimmune disorders, or one or more symptoms thereof by administering to a patient one or more TNFα and/or PDE4 and/or B-RAF inhibitors.

  本文提供具有TNFα和/或PDE4和/或B-RAF抑制活性的化合物及其组合物。特别地，本文提供了式I的化合物：以及其药学上可接受的盐、溶剂化合物、水合物、包合物、立体异构体、多晶形和前药，其中Ar、R1、R2、R3、R4、n和Z如本文所述。此外，本文提供了通过向患者给予一种或多种TNFα和/或PDE4和/或B-RAF抑制剂来治疗或预防各种疾病和疾病的方法。特别地，本文提供了通过向患者给予一种或多种TNFα和/或PDE4和/或B-RAF抑制剂来预防或治疗癌症、炎症性疾病、认知和记忆障碍和自身免疫性疾病或其一种或多种症状的方法。
• 6-(4-Pyridyl)pyrimidin-4(3H)-ones as CNS penetrant glycogen synthase kinase-3β inhibitors
  作者：Fumiaki Uehara、Aya Shoda、Keiichi Aritomo、Kenji Fukunaga、Kazutoshi Watanabe、Ryoichi Ando、Masaki Shinoda、Hiroaki Ueno、Hideo Kubodera、Shinji Sunada、Ken-Ichi Saito、Takahide Kaji、Shoichi Asano、Jun-ichi Eguchi、Satoshi Yuki、Shinji Tanaka、Yukimi Yoneyama、Takuro Niwa

  DOI：10.1016/j.bmcl.2013.09.021

  日期：2013.12

  The discovery of a series of 6-(4-pyridyl)pyrimidin-4(3H)-ones derived from a hit compound with low molecular weight and sufficient chemical space is reported. Transformation of substituents led to subnanomolar potent inhibitors with in vivo tau phoshorylation lowering activity. (C) 2013 Elsevier Ltd. All rights reserved.
• [EN] INHIBITORS OF TNFa, PDE4 AND B-RAF, COMPOSITIONS THEREOF AND METHODS OF USE THEREWITH<br/>[FR] INHIBITEURS DE TNFa, DE PDE4 ET DE B-RAF, COMPOSITIONS COMPRENANT CES INHIBITEURS ET MÉTHODES D'UTILISATION ASSOCIÉES
  申请人：SIGNAL PHARM LLC

  公开号：WO2007084560A3

  公开（公告）日：2007-09-20