4-(氨基乙基)-2-氟苯腈 | 368426-73-7

• 物质功能分类: 有机原料 - 有机氟化合物 - 氟苯腈系列
• 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-(氨基乙基)-2-氟苯腈
• 英文名称: 4-(aminomethyl)-2-fluorobenzonitrile
• CAS: 368426-73-7
• 化学式: C₈H₇FN₂
• 分子量: 150.155
• InChiKey: QREAXVRKRXUJKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  49.8
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  4-(氨基乙基)-2-氟苯腈 在 盐酸羟胺 、 N,N-二异丙基乙胺 、 sodium hydroxide 作用下， 以 1,4-二氧六环 、 甲醇 为溶剂， 反应 19.0h， 生成 tert-butyl N-[[3-fluoro-4-(N'-hydroxycarbamimidoyl)phenyl]methyl]carbamate
  参考文献：
  名称：

  [EN] INHIBITORS OF PLASMA KALLIKREIN
  [FR] INHIBITEURS DE LA KALLICRÉINE PLASMATIQUE

  摘要：

  The present disclosure provides compounds of Formula (IA) and their pharmaceutical compositions: The compounds and compositions are useful for inhibiting the activity of plasma kallikrein, and they are useful in therapy and in methods of treating diseases and conditions, such as ocular disorders.

  公开号：

  WO2024025907A1
• 作为产物：
  描述：

  2-氟-4-甲基苯腈 在 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 caesium carbonate 、 肼 作用下， 以 四氯化碳 、 N,N-二甲基甲酰胺 、 正丁醇 为溶剂， 反应 5.08h， 生成 4-(氨基乙基)-2-氟苯腈
  参考文献：
  名称：

  Non-covalent thrombin inhibitors featuring P3-Heterocycles with P1-Bicyclic arginine surrogates

  摘要：

  Novel, potent, and highly selective classes of thrombin inhibitors were identified, which resulted from judicious combination of P-4-aromatics and P-2-P-3-heterocyclic dipeptide surrogates with weakly basic (calcd pK(a) similar tonon-basic-8.6) bicyclic P-1-arginine mimics. The design, synthesis, and biological activity of achiral, non-covalent, orally bioavailable inhibitors NC1-NC44 featuring P-1-indazoles, benzimidazoles, indoles, benzotriazoles, and aminobenzisoxazoles is disclosed. (C) 2002 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)00585-1

文献信息

• MASP-2 INHIBITORS AND METHODS OF USE
  申请人：Omeros Corporation

  公开号：US20190367452A1

  公开（公告）日：2019-12-05

  The present disclosure provides, inter alia, compounds with MASP-2 inhibitory activity, compositions of such compounds and methods of making and using such compounds.

  本公开提供了具有MASP-2抑制活性的化合物，这些化合物的组合物以及制造和使用这些化合物的方法。
• Mandelic acid derivatives and their use as throbin inhibitors
  申请人：——

  公开号：US20040019033A1

  公开（公告）日：2004-01-29

  There is provided a compound of formula I 1 wherein R a , R 1 , R 2 , Y and R 3 have meanings given in the description and pharmaceutically acceptable derivatives (including prodrugs) thereof, which compounds and derivatives are useful as, or are useful as prodrugs of, competitive inhibitors of trypsin-like proteases, such as thrombin, and thus, in particular, in the treatment of conditions where inhibition of thrombin is required (e.g. thrombosis) or as anticoagulants.

  提供了一种公式I的化合物 1 其中R a , R 1 , R 2 , Y和R 3 具有说明书中给出的含义以及药学上可接受的衍生物（包括前药），这些化合物和衍生物可用作竞争性胰蛋白酶样蛋白酶抑制剂，如凝血酶，因此，特别是用于需要抑制凝血酶的情况（例如血栓形成）或作为抗凝剂。
• [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] PHARMACEUTICAL COMBINATION<br/>[FR] COMBINAISON PHARMACEUTIQUE
  申请人：ASTRAZENECA AB

  公开号：WO2003101956A1

  公开（公告）日：2003-12-11

  There is provided a combination product comprising: (1) a compound of claim 1 in WO 02/44145 or a compound of claim 20 in WO 02/44145 (or derivative thereof)or a pharmaceutically-acceptable derivative thereof; and (1) a compound as defined in claim 1 of WO 01/28992 or (2) a compound of Claim 34 of WO 01/28992 or (3) Compound A or B or C or D (or pharmaceutically-acceptable salts thereof) for use in treating arrhythmia or a coagulation controlled complication thereof.

  提供了一种组合产品，包括：(1) WO 02/44145中权利要求1的化合物或WO 02/44145中权利要求20的化合物（或其衍生物）或药用可接受的衍生物；以及（1）WO 01/28992中权利要求1定义的化合物或（2）WO 01/28992中权利要求34的化合物或（3）化合物A或B或C或D（或药用可接受的盐）用于治疗心律不齐或其凝血控制的并发症。
• PYRAZOLOPYRIDINE PYRAZOLOPYRIMIDINE AND RELATED COMPOUNDS
  申请人：Global Blood Therapeutics, Inc.

  公开号：US20150315198A1

  公开（公告）日：2015-11-05

  In one aspect this invention relates generally to compounds of Formula: and sub-formulas thereof, or a tautomer of each thereof, a pharmaceutically acceptable salt of each thereof, or a pharmaceutically acceptable solvate of each of the foregoing, where X 1 , L 1 , L 3 , and R 3 are described herein.

  在一个方面，这项发明通常涉及以下式的化合物： 及其亚式，或每个亚式的重排异构体，每个的药学上可接受的盐，或每个前述的药学上可接受的溶剂，其中X 1 ，L 1 ，L 3 和R 3 如本文所述。