[2-氨基-2-(4-氟-苯基)-乙基]-氨基甲酸叔丁酯盐酸盐 | 912762-88-0

• 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: [2-氨基-2-(4-氟-苯基)-乙基]-氨基甲酸叔丁酯盐酸盐
• 中文别名: [2-氨基-2-(4-氟-苯基)-乙基]-氨基甲酸叔丁酯
• 英文名称: tert-butyl (2-amino-2-(4-fluorophenyl)ethyl)carbamate
• 英文别名: tert-butyl N-[2-amino-2-(4-fluorophenyl)ethyl]carbamate
• CAS: 912762-88-0
• 化学式: C₁₃H₁₉FN₂O₂
• 分子量: 254.304
• InChiKey: FKQQBMYDJRVPTA-UHFFFAOYSA-N

物化性质

• 沸点：
  376.7±37.0 °C(Predicted)
• 密度：
  1.126±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  18
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2924299090

反应信息

• 作为反应物：
  描述：

  [2-氨基-2-(4-氟-苯基)-乙基]-氨基甲酸叔丁酯盐酸盐 在 三乙胺 、 N,N-二异丙基乙胺 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 反应 17.0h， 生成 N-(2-((5-cyanopyrimidin-2-yl)amino)-2-(4-fluorophenyl)ethyl)benzenesulfonamide
  参考文献：
  名称：

  [EN] METALLOENZYME INHIBITOR COMPOUNDS
  [FR] COMPOSÉS INHIBITEURS DE MÉTALLOENZYMES

  摘要：

  提供具有HDAC6调节活性的化合物，以及通过HDAC6介导的治疗疾病、疾病或症状的方法。

  公开号：

  WO2018165520A1
• 作为产物：
  描述：

  2-溴-4'-氟苯乙酮 在 吡啶 、 乌洛托品 、 palladium 10% on activated carbon 、 盐酸羟胺 、 氢气 、 碳酸氢钠 、 sodium iodide 作用下， 以 甲醇 、 乙醇 为溶剂， 反应 49.0h， 生成 [2-氨基-2-(4-氟-苯基)-乙基]-氨基甲酸叔丁酯盐酸盐
  参考文献：
  名称：

  Hit-to-lead evaluation of a novel class of sphingosine 1-phosphate lyase inhibitors

  摘要：

  Inhibition of sphingosine-1-phosphate lyase has recently been proposed as a potential treatment option for inflammatory disorders such as multiple sclerosis, rheumatoid arthritis, and inflammatory bowel disease. In this report we describe our hit-to-lead evaluation of the isoxazolecarboxamide 6, a high-throughput screening hit (in vitro IC50 = 1.0 mu M, cell IC50 = 1.8 mu M), as a novel S1P lyase inhibitor. We were able to establish basic structure-activity relationships around 6 and succeeded in obtaining X-ray structural information which enabled structure-based design. With the discovery of 28, enzyme activity was quickly improved to IC50 = 120 nM and cell potency to IC50 = 230 nM. The main liability in the established isoxazolecarboxamide hit series was determined to be metabolic stability. In particular we identified that future lead-optimization efforts to overcome this problem should focus on blocking the N-dealkylation on the secondary amine. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2016.03.043

文献信息

• Amino-substituted imidazo[1,2-a]pyridinecarboxamides and their use
  申请人：BAYER PHARMA AKTIENGESELLSCHAFT

  公开号：US20140128372A1

  公开（公告）日：2014-05-08

  The present application relates to novel substituted imidazo[1,2-a]pyridine-3-carboxamides, to processes for their preparation, to their use alone or in combinations for the treatment and/or prophylaxis of diseases and to their use for preparing medicaments for the treatment and/or prophylaxis of diseases, in particular for the treatment and/or prophylaxis of cardiovascular disorders.

  本申请涉及新型取代咪唑[1,2-a]吡啶-3-羧酰胺，其制备方法，单独或组合使用以治疗和/或预防疾病，以及用于制备治疗和/或预防疾病的药物，特别是用于治疗和/或预防心血管疾病。
• [EN] TRICYCLIC 2,4-DIAMIN0-L,3,5-TRIAZINE DERIVATIVES USEFUL FOR THE TREATMENT OF CANCER AND MYELOPROLIFERATIVE DISORDERS<br/>[FR] DÉRIVÉS TRICYCLIQUES DE 2,4-DIAMINO-L,3,5-TRIAZINE UTILES POUR LE TRAITEMENT DU CANCER ET DE TROUBLES MYÉLOPROLIFÉRATIFS
  申请人：ASTRAZENECA AB

  公开号：WO2009150462A1

  公开（公告）日：2009-12-17

  The present invention relates to compounds of Formula (I): (I) and to their salts, pharmaceutical compositions, methods of use, and methods for their preparation. These compounds provide a treatment for myeloproliferative disorders and cancer.

  本发明涉及公式（I）的化合物及其盐、药物组合物、使用方法和制备方法。这些化合物可用于治疗骨髓增生性疾病和癌症。
• ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS
  申请人：Incyte Corporation

  公开号：US20130096144A1

  公开（公告）日：2013-04-18

  The present invention provides isoindolinone and pyrrolopyridinone derivatives, as well as their compositions and methods of use, that inhibit the activity of the serine/threonine kinase, Akt, and are useful in the treatment of diseases related to the activity of Akt including, for example, cancer and other diseases.

  本发明提供了异吲哚酮和吡咯吡啶酮衍生物，以及它们的组合物和使用方法，这些衍生物抑制丝氨酸/苏氨酸激酶Akt的活性，对于治疗与Akt活性相关的疾病，例如癌症和其他疾病，具有益处。
• COMPOUNDS FOR INHIBITING AGC KINASE AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME
  申请人：Industrial Technology Research Institute

  公开号：US20190194137A1

  公开（公告）日：2019-06-27

  A compound of formula (I) or a pharmaceutically acceptable salt thereof is provided. In formula (I), Ar is indazole, 5-isoquinoline, 6-isoquinoline, or their N-oxide. X is —C(═Z)—, wherein Z is N—CN, NH, NR 4 , NCOR 4 , NCONR 4 R 5 , NCO-aryl, S, or O. Y and J are independently H, alkyl, aryl, aminoalkyl, —NH 2 , —CN, —OH, —O-alkyl, —O-aryl, —COOH, —COOR 4 , —CONHR 4 , —CONHCH 2 -aryl, —CONR 4 CH 2 -aryl, —NHCOR 4 , halogen, halogened alkyl, -alkyl-OR 4 , -alkyl-ONO 2 , alkyl-ONO 2 , —OCOOR 4 , —O(C═O)-aryl, —CHR 4 OH, —CH 2 OH, —CH 2 O(C═O)-aryl, —CH 2 O(C═O)—R 4 , —CHR 4 O(C═O)-aryl, —CHR 4 O(C═O)—R 4 , unsaturated carboxylic ester, substituted alkynyl, —NHSO 2 R 4 , —SO 2 R 4 , —SO 2 NHR 4 , or —SO 2 NR 4 R 5 , or Y and J bond together to form a carbocylic or aromatic ring, wherein R 4 and R 5 are independently H, substituted C1-C6 alkyl, substituted aryl, cycloalkyl, alkylaryl, -alkyl-NR 6 R 7 , —S(O) 0-2 -(alkyl-NR 6 R 7 ). R 1 , R 2 and R 3 are H, C1-C6 alkyl, cycloalkyl, aryl, alkylaryl, alkylheteroaryl, alkylheterocycle, wherein any one thereof is optionally substituted with one or more of OH, NO 2 , or NR 8 R 9 .

  提供公式(I)的化合物或其药用盐。在公式(I)中，Ar是吲唑，5-异喹啉，6-异喹啉或它们的N-氧化物。X为—C(═Z)—，其中Z为N—CN，NH，NR4，NCOR4，NCONR4R5，NCO-芳基，S或O。Y和J独立地为H，烷基，芳基，氨基烷基，—NH2，—CN，—OH，—O-烷基，—O-芳基，—COOH，—COOR4，—CONHR4，—CONHCH2-芳基，—CONR4CH2-芳基，—NHCOR4，卤素，卤代烷基，-烷基-OR4，-烷基-O ，烷基-O ，—OCOOR4，—O(C═O)-芳基，—CHR4OH，— H，—CH2O(C═O)-芳基，— (C═O)—R4，—CHR4O(C═O)-芳基，—CHR4O(C═O)—R4，不饱和羧酸酯，取代炔烃基，—NHSO2R4，—SO2R4，—SO2NHR4或—SO2NR4R5，或Y和J结合在一起形成环，其中R4和R5独立地为H，取代的C1-C6烷基，取代的芳基，环烷基，烷基芳基，-烷基-NR6R7，—S(O)0-2-(烷基-NR6R7)。R1，R2和R3为H，C1-C6烷基，环烷基，芳基，烷基芳基，烷基杂芳基，烷基杂环，其中任意一个可以选择地取代一个或多个OH，NO2或NR8R9。
• [EN] GAMMA SECRETASE MODULATORS<br/>[FR] MODULATEURS DE LA GAMMA-SÉCRÉTASE
  申请人：SCHERING CORP

  公开号：WO2009020580A1

  公开（公告）日：2009-02-12

  In its many embodiments, the present invention provides a novel class of heterocyclic compounds as modulators of gamma secretase, methods of preparing such compounds, pharmaceutical compositions containing one or more such compounds, methods of preparing pharmaceutical formulations comprising one or more such compounds, and methods of treatment, prevention, inhibition, or amelioration of one or more diseases associated with the central nervous system using such compounds or pharmaceutical compositions.

  在其多种实施方式中，本发明提供了一类新颖的杂环化合物，作为γ-分泌酶调节剂，提供了制备这类化合物的方法，包含一种或多种这类化合物的药物组合物，制备包含一种或多种这类化合物的药物配方的方法，以及使用这类化合物或药物组合物治疗、预防、抑制或改善与中枢神经系统相关的一种或多种疾病的方法。