4-氨基甲基-N-羟基苯甲脒 | 328552-93-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氨基甲基-N-羟基苯甲脒
• 英文名称: 4-(aminomethyl)-N'-hydroxybenzenecarboximidamide
• 英文别名: 4-(aminomethyl)-N-hydroxybenzene-1-carboximidamide
• CAS: 328552-93-8
• 化学式: C₈H₁₁N₃O
• 分子量: 165.19
• InChiKey: UNFAAXQGZJDPCX-UHFFFAOYSA-N

物化性质

• 沸点：
  316.3±44.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  84.6
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2925290090

反应信息

• 作为反应物：
  描述：

  4-氨基甲基-N-羟基苯甲脒 在 palladium on activated charcoal 氢气 作用下， 以 甲醇 为溶剂， 反应 11.0h， 以99%的产率得到4-氨甲基苄眯二盐酸盐
  参考文献：
  名称：

  Novel, Potent Non-Covalent Thrombin Inhibitors Incorporating P3-Lactam Scaffolds

  摘要：

  Evolution of P-1-argininal inhibitor prototypes led to a series of non-covalent P-3-7-membered lactam inhibitors 1a-w, featuring novel peptidomimetic units that probe each of the S-1, S-2, and S-3 specificity pockets of thrombin. Rigid P-1-arginine surrogates possessing a wide range of basicity (calcd pK(a)'ssimilar toneutral-14) were surveyed. The design, synthesis, and biological activity of these targets are presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00010-0
• 作为产物：
  描述：

  4-(叠氮甲基)苯甲腈 在 palladium on activated charcoal N-甲基吗啉 、 盐酸羟胺 、 氢气 作用下， 以 甲醇 、 乙酸乙酯 为溶剂， 20.0 ℃ 、310.26 kPa 条件下， 反应 83.0h， 生成 4-氨基甲基-N-羟基苯甲脒
  参考文献：
  名称：

  Novel, Potent Non-Covalent Thrombin Inhibitors Incorporating P3-Lactam Scaffolds

  摘要：

  Evolution of P-1-argininal inhibitor prototypes led to a series of non-covalent P-3-7-membered lactam inhibitors 1a-w, featuring novel peptidomimetic units that probe each of the S-1, S-2, and S-3 specificity pockets of thrombin. Rigid P-1-arginine surrogates possessing a wide range of basicity (calcd pK(a)'ssimilar toneutral-14) were surveyed. The design, synthesis, and biological activity of these targets are presented. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00010-0

文献信息

• [EN] INHIBITORS OF FURIN AND OTHER PRO-PROTEIN CONVERTASES<br/>[FR] INHIBITEURS DE FURINE ET AUTRES CONVERTASES DE PRO-PROTÉINES
  申请人：SANFORD BURNHAM MED RES INST

  公开号：WO2013138665A1

  公开（公告）日：2013-09-19

  Disclosed herein are Furin/PC inhibitors for inhibiting Furin and other Propprotein Convertases. Method of making the Furin/PC inhibitors, chemical and biological characterization of the Furin/PC inhibitors, and the use of the Furin/PC inhibitors to treat infectious diseases, cancers, and inflammatory/autoimmune disorders, are also disclosed.

  本文披露了用于抑制Furin和其他Propprotein Convertases的Furin/PC抑制剂。还披露了制备Furin/PC抑制剂的方法，对Furin/PC抑制剂的化学和生物特性进行表征，以及利用Furin/PC抑制剂治疗传染病、癌症和炎症/自身免疫性疾病的用途。
• [EN] BRIDGED BICYCLIC KALLIKREIN INHIBITORS<br/>[FR] INHIBITEURS BICYCLIQUES PONTÉS DE LA KALLIKRÉINE
  申请人：GLOBAL BLOOD THERAPEUTICS INC

  公开号：WO2016201052A1

  公开（公告）日：2016-12-15

  Provided herein are kallikrein modulating compounds, pharmaceutical compositions comprising the same, and uses thereof.

  本文提供了调节激肽酶的化合物、包含这些化合物的药物组合物，以及它们的用途。
• Novel amino acid derivatives, method for production thereof and pharmaceutical compositions comprising said derivative
  申请人：De Nanteuil Guillaume

  公开号：US20050085517A1

  公开（公告）日：2005-04-21

  Compound of formula (I): wherein: R 1 represents aryl, heteroaryl or alkyl which is optionally substituted, or a group of formula —(CO)—CR 6 R 7 NR 8 R 9 wherein R 6 , R 7 , R 8 and R 9 are as defined in the description, R 2 represents hydrogen or alkyl, R 3 represents hydrogen or optionally substituted alkyl, R 4 represents a saturated or unsaturated, 7- to 15-membered bicyclic system or optionally substituted alkyl, or R 3 and R 4 , together with the carbon atom carrying them, form a saturated or unsaturated, 3- to 18-membered, mono-, bi- or tri-cyclic system optionally containing one or more hetero atoms selected from O, S and N and optionally substituted, n represents zero, 1 or 2, Ar represents aryl or heteroaryl, R 5 represents amino, guanidino, cyano or amidino which is optionally substituted, its optical isomers, and also addition salts thereof with a pharmaceutically acceptable acid. Medicinal products containing the same which are useful in pathological conditions involving activated protein C.

  化合物的分子式（I）如下所示：其中：R1代表芳基、杂环芳基或烷基，可以选择性地被取代，或者是下述分子式的基团—(CO)—CR6R7NR8R9，其中R6、R7、R8和R9如描述中定义，R2代表氢或烷基，R3代表氢或可选择性取代的烷基，R4代表饱和或不饱和的7至15环双环系统或可选择性取代的烷基，或者R3和R4与携带它们的碳原子一起形成饱和或不饱和的3至18环的单环、双环或三环系统，该系统可以选择性地含有一个或多个来自O、S和N的杂原子，并且可以被取代，n代表零、1或2，Ar代表芳基或杂环芳基，R5代表氨基、胍基、氰基或酰胺基，可以选择性地被取代，其光学异构体，以及与药学上可接受的酸形成的相应的盐。含有这些化合物的药物制剂在涉及活化蛋白C的病理状况中是有用的。
• Non-covalent inhibitors of urokinase and blood vessel formation
  申请人：Corvas International, Inc.

  公开号：US20020037857A1

  公开（公告）日：2002-03-28

  Novel compounds having activity as non-covalent inhibitors of urokinase and having activity in reducing or inhibiting blood vessel formation are provided. These compounds have Pi a group having an amidino or guanidino moiety or derivative thereof. These compounds are useful in vitro for monitoring plasminogen activator levels and in vivo in treatment of conditions which are ameliorated by inhibition of or decreased activity of urokinase and in treating pathologic conditions wherein blood vessel formation is related to a pathologic condition.

  提供了一种具有作为尿激酶非共价抑制剂活性并在减少或抑制血管形成方面具有活性的新化合物。这些化合物具有Pi基团，其中含有一个酰胺基团或鸟胺基团或其衍生物。这些化合物在体外用于监测纤溶酶原激活剂水平，在体内用于治疗通过抑制尿激酶或降低其活性而得到改善的病症，以及用于治疗血管形成与病理病变相关的病理状况。
• Thrombin inhibitors having a lactam at P3
  申请人：Corvas International, Inc.

  公开号：US06541467B1

  公开（公告）日：2003-04-01

  The present invention provides compounds having a lactam ring at P3 and at P1 have a six-membered heterocyclic ring having two ring nitrogen ring atoms and the remainder of the ring atoms carbon atoms. These compounds have biological activity as active and potent inhibitors of thrombin. Their pharmaceutically acceptable salts, pharmaceutical compositions thereof and methods of using these compounds and pharmaceutical compositions comprising these compounds as therapeutic agents for treatment of disease states in mammals which are characterized by abnormal thrombosis are also described.

  本发明提供了在P3处具有内酰胺环，在P1处具有一个含有两个环氮原子和其余环原子为碳原子的六元杂环环的化合物。这些化合物作为活性和有效的凝血酶抑制剂具有生物活性。还描述了它们的药用可接受盐、包括这些化合物的药物组合物以及使用这些化合物和包含这些化合物的药物组合物作为治疗哺乳动物疾病状态的治疗剂的方法。