(4-amino-benzyl)-guanidine | 96783-61-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (4-amino-benzyl)-guanidine
• 英文别名: (4-Amino-benzyl)-guanidin；1-(4-Aminobenzyl)guanidine；2-[(4-aminophenyl)methyl]guanidine
• CAS: 96783-61-8
• 化学式: C₈H₁₂N₄
• mdl: MFCD11168300
• 分子量: 164.21
• InChiKey: PUXHWHMUFJELKM-UHFFFAOYSA-N

物化性质

• 熔点：
  195-202 °C (decomp)
• 沸点：
  343.8±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)：
  -0.3
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  90.4
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  (4-nitro-benzyl)-guanidine; hydrochloride 在 乙醇 、 镍 作用下， 生成 (4-amino-benzyl)-guanidine
  参考文献：
  名称：

  Miller, Journal of the Chemical Society, 1949, p. 2722

  摘要：

  DOI：

文献信息

• PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS
  申请人：Lawrence Harshani

  公开号：US20110201609A1

  公开（公告）日：2011-08-18

  The subject invention concerns compounds having activity as inhibitors of proteasomes and methods of using the subject compounds. In one embodiment, a compound of the invention has the chemical structure shown in formula I: wherein R 1 is an organic cyclic ring structure bonded to a sulfonamide structure; R 2 is H, halogen, alkyl, —NR 6 R 7 , or heteroalkyl; R 3 is H, halogen, —OH, —O-alkyl, alkyl, cycloalkyl, heterocycloalkyl, aryl, heteroaryl, —NO 2 , —NH 2 or substituted amines; R 4 is H, alkyl, heteroalkyl, aryl, or heteroaryl, any of which can be optionally substituted with one or more of —NO 2 , alkyl, heteroalkyl, aryl, or heteroaryl, or halogen; R 5 is H, —OH, halogen, alkyl, aryl, heteroaryl, cycloalkyl, heterocycloalkyl, —O-alkyl, —O-aryl, heteroalkyl, —NO 2 , —NH 2 , or substituted amine; and R 6 and R 7 are independently H, O, alkyl, aryl, heterocycloalkyl, or heteroaryl, or together can form a heterocycloalkyl or a heteroaryl, any of which can be optionally substituted with one or more of —NO 2 , alkyl, heteroalkyl, aryl, or halogen; or a pharmaceutically acceptable salt or hydrate thereof. In another embodiment, a compound of the invention has the chemical structure shown in formula II: wherein Q, W, X, Y, Z are each independently carbon, oxygen, or nitrogen; R 1 is H, or X 1 R 8 ; R 2 is heteroalkyl, which can be optionally substituted with one or more of —OH, halogen, —C(O)OR 4 , alkyl, heteroalkyl, heterocycloalkyl, or heteroaryl; R 3 is heterocycloalkyl, aryl, heteroaryl, any of which can be optionally substituted with one or more of a halogen or —OH; and R 4 is H or alkyl; R 5 is halogen, alkyl or nitro; R 6 is nitro, X 2 R 9 or a halogen; R 7 is H or alkyl; R 8 is H, alkyl, aryl, CH 2 -alkyl-aryl, -alkyl-C(O)OH, or alkyl-tetrazole (aromatic and aliphatic heterocyclic groups); R 9 is H or alkyl; X 1 is oxygen, nitrogen, or sulfur; X 2 is oxygen, nitrogen, or sulfur; or a pharmaceutically acceptable salt or hydrate thereof.

  本发明涉及作为蛋白酶体抑制剂的化合物及使用该化合物的方法。在一种实施方式中，本发明的化合物具有公式I所示的化学结构：其中，R1是与磺酰胺结构键合的有机环状环结构；R2是H、卤素、烷基、-NR6R7或杂环烷基；R3是H、卤素、-OH、-O-烷基、烷基、环烷基、杂环烷基、芳基、杂芳基、-NO2、-NH2或取代胺；R4是H、烷基、杂烷基、芳基或杂芳基，其中任何一个都可以选择性地取代一个或多个- 、烷基、杂烷基、芳基或杂芳基或卤素；R5是H、-OH、卤素、烷基、芳基、杂芳基、环烷基、杂环烷基、-O-烷基、-O-芳基、杂烷基、- 、-NH2或取代胺；R6和R7分别是H、O、烷基、芳基、杂环烷基或杂芳基，或者一起形成杂环烷基或杂芳基，其中任何一个都可以选择性地取代一个或多个- 、烷基、杂烷基、芳基或卤素；或其药学上可接受的盐或水合物。在另一种实施方式中，本发明的化合物具有公式II所示的化学结构：其中，Q、W、X、Y、Z分别独立地是碳、氧或氮；R1是H或X1R8；R2是杂环烷基，可以选择性地取代一个或多个-OH、卤素、-C（O）OR4、烷基、杂烷基、杂环烷基或杂芳基；R3是杂环烷基、芳基、杂芳基，其中任何一个都可以选择性地取代一个或多个卤素或-OH；R4是H或烷基；R5是卤素、烷基或硝基；R6是硝基、X2R9或卤素；R7是H或烷基；R8是H、烷基、芳基、CH2-烷基-芳基、-烷基-C（O）OH或烷基-四唑（芳香和脂肪族杂环基）；R9是H或烷基；X1是氧、氮或硫；X2是氧、氮或硫；或其药学上可接受的盐或水合物。
• COMPOSITION CONTAINING ASCORBIC ACID
  申请人：SUMITOMO PHARMACEUTICALS COMPANY, LIMITED

  公开号：EP1004304A1

  公开（公告）日：2000-05-31

  L-Ascorbic acid, its derivatives, or salts thereof can lower the blood lactic acid level and, therefore are useful as a remedy for lactic acidosis, etc., caused by the administration of amoxapine, theophyleine, methoformin, phenformin, buformin, nalidixic acid, hopantenic acid, azidothymidine, dideoxycytidine, high-calorie transfusion, propylene glycol, ethylene glycol, xylitol, fructose, sorbitol, etc.

  L-抗坏血酸、其衍生物或其盐类可降低血液中的乳酸水平，因此可用于治疗因服用阿莫沙平、茶碱、甲氰咪胍、苯福明、布福明、萘啶酸、金刚烷酸、氮杂胞嘧啶、双脱氧胞苷、高热量输血、丙二醇、乙二醇、木糖醇、果糖、山梨糖醇等引起的乳酸中毒等。
• COMPOSITIONS, METHODS, AND SYSTEMS FOR THE SYNTHESIS AND USE OF IMAGING AGENTS
  申请人：Lantheus Medical Imaging, Inc.

  公开号：EP3567029A1

  公开（公告）日：2019-11-13

  The present invention relates to systems, compositions, and methods for the synthesis and use of imaging agents, or precursors thereof. An imaging agent precursor may be converted to an imaging agent using the methods described herein. In some cases, the imaging agent is enriched in 18F. In some cases, an imaging agent may be used to image an area of interest in a subject, including, but not limited to, the heart, cardiovascular system, cardiac vessels, brain, and other organs. In some embodiments, methods and compositions for assessing perfusion and innervation mismatch in a portion of a subject are provided.

  本发明涉及合成和使用成像剂或其前体的系统、组合物和方法。成像剂前体可通过本文所述方法转化为成像剂。在某些情况下，成像剂富含 18F。在某些情况下，成像剂可用于成像受试者感兴趣的区域，包括但不限于心脏、心血管系统、心脏血管、大脑和其他器官。在一些实施方案中，提供了用于评估受试者部分灌注和神经支配失配的方法和组合物。
• [DE] NEUE BENZYLGUANIDINDERIVATE FÜR DIE THERAPIE, IN-VIVO- UND IN-VITRO-DIAGNOSTIK<br/>[EN] NOVEL BENZYL GUANIDINE DERIVATIVES FOR THERAPY AND IN-VIVO AND IN-VITRO DIAGNOSIS<br/>[FR] NOUVEAUX DERIVES DE BENZYLGUANIDINE POUR LA THERAPIE ET LE DIAGNOSTIC IN VIVO ET IN VITRO
  申请人：INSTITUT FÜR DIAGNOSTIKFORSCHUNG GMBH AN DER FREIEN UNIVERSITÄT BERLIN

  公开号：WO1999052861A1

  公开（公告）日：1999-10-21

  (DE) Die Erfindung betrifft neue Benzylguanidinderivate zur Therapie, $i(In-vivo)- und $i(In-vitro)-Diagnostik, die Verwendung dieser Verbindungen als Therapeutika und Diagnostika, insbesondere zur Behandlung und Diagnostik von Neuroblastomen und diese Verbindungen enthaltende diagnostische Mittel.(EN) The invention relates to novel benzyl guanidine derivatives for therapy and $i(in-vivo) and $i(in-vitro) diagnosis. The invention also relates to the use of these compounds as therapeutic agents and diagnostic agents, especially for treating and diagnosing neuroblastomas. In addition, the invention relates to the diagnostic agents which contain the inventive compounds.(FR) L'invention concerne de nouveaux dérivés de benzylguanidine pour la thérapie et le diagnostic $i(in vivo) et $i(in vitro), ainsi que l'utilisation de ces composés comme agents thérapeutiques et agents de diagnostic, notamment pour le traitement et le diagnostic de neuroblastomes. L'invention concerne également des agents de diagnostic contenant lesdits composés.

  该发明涉及用于治疗和$($在体内和体外$)$诊断的新型苯丙胺衍生物，以及这些化合物作为治疗性试剂和诊断试剂的用途，特别是用于神经母细胞瘤的治疗和诊断。此外，包含该发明化合物的诊断试剂也是该发明的组成部分。
• C-4' MODIFIED ADENOSINE KINASE INHIBITORS
  申请人：Gensia Sicor Inc.

  公开号：EP0832091B1

  公开（公告）日：2004-01-14