1-Boc-2-氨基咪唑 | 929568-19-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1-Boc-2-氨基咪唑
• 中文别名: 1-BOC-2-氨基咪唑
• 英文名称: 2-amino-1-(tert-butoxycarbonyl)imidazole
• 英文别名: 2-Amino-1-Boc-imidazole；tert-butyl 2-aminoimidazole-1-carboxylate
• CAS: 929568-19-4
• 化学式: C₈H₁₃N₃O₂
• mdl: MFCD20702858
• 分子量: 183.21
• InChiKey: BXKYKASMZAUFCZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  70.1
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  1-Boc-2-氨基咪唑 在 吡啶 、 copper(l) iodide 、 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 mineral oil 为溶剂， 反应 69.5h， 生成 methyl 3-[5-(4-(N-(tert-butoxycarbonyl)-N-(1-(tert-butoxycarbonyl)imidazol-2-yl)amino)methyl-1H-1,2,3-triazol-1-yl)-2-hydroxybenzamido]benzoate
  参考文献：
  名称：

  Design, synthesis, and evaluation of hinge-binder tethered 1,2,3-triazolylsalicylamide derivatives as Aurora kinase inhibitors

  摘要：

  A series of hinge-binder tethered 1,2,3-triazolylsalicylamide derivatives were designed, synthesized, and evaluated for the Aurora kinase inhibitory activities. The novel hinge-binder tethered 1,2,3-triazolylsalicylamide scaffold was effectively assembled by Cu(I)-catalyzed azide-alkyne 1,3-dipolar cycloaddition (CuAAC). A variety of alkynes with hinge binders were used to search proper structures-binding relationship to the hinge region. The synthesized 1,2,3-triazolylsalicylamide derivatives showed significant Aurora kinase inhibitory activity. In particular, 8a inhibited Aurora A kinase with an IC50 value of 0.284 mu M, whereas 8m inhibited Aurora B kinase with an IC50 value of 0.364 mu M. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2016.03.042
• 作为产物：
  描述：

  二碳酸二叔丁酯 在 吡啶 作用下， 以 二氯甲烷 为溶剂， 反应 24.83h， 以3%的产率得到1-Boc-2-氨基咪唑
  参考文献：
  名称：

  WO2007/31745

  摘要：

  公开号：

文献信息

• NOVEL 7-SUBSTITUTED 3-CARBOXY-OXADIAZINO-QUINOLONE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION AS ANTI-BACTERIALS
  申请人：Ropp Sandrine

  公开号：US20090221565A1

  公开（公告）日：2009-09-03

  A subject of the invention is the compounds of formula (I): in which either R 1 represents H, OH, NH 2 , —(CH 2 ) m —NR a R b (m=0.1 or 2), R a and R b represent H, linear, branched or cyclic (C 1 -C 6 ) alkyl, (C 3 -C 6 ) cycloalkyl-(C 3 -C 6 )— alkyl, R c , S(O) 2 R c , C(O)R c , S(O) 2 R d or C(O)R d ; or R a and R b with N form an R c radical; R c represents a saturated, unsaturated or 5- or 6-members aromatic ring, containing 1 to 4 heteroatoms chosen from N, O and S, optionally substituted; R d represents a linear, branched or cyclic (C 1 -C 6 ) alkyl, optionally substituted by 1 to 4 halogens; or R 1 represents R c or CHR e R c or CHR e R d ; R e represents H, OH, NH 2 , NH—(C 1 -C 6 )-alk or N-(C 1 -C 6 )-alk 2 , or NH—(C 1 -C 7 )-acyl or NHR c ; R 2 represents H, (CH 2 ) m —NR a R b , R c , CHR e R c or CHR e R d , and R′ 2 represents H; it being understood that R 1 and R 2 cannot at the same time be H or that R 1 and R 2 or R 2 and R 1 cannot be one (CH 2 ) m —NR a R b or R c or H and the other one OH, or one H and the other one NH 2 , or one H and the other one (CH 2 ) m —NR a R b in which R a and R b represent H or alkyl or C(O)R d , in which R d represents an unsubstituted alkyl or cycloalkyl; or R 1 has the above definition except H and R 2 and R′ 2 together represent gem dialkyl or alkyl-oxime, or R 2 and R′ 2 represent respectively R c or R d and OH, NH 2 , NHR c or NHR f , R f being a (C 1 -C 7 ) acyl radical; or R 1 represents H and R 2 and R′ 2 together represent alkyl-oxime or one represents R c and the other one represents OH, NH 2 , NHR c or NHR f ; n is 0 or 1; R 3 and R′ 3 represent H or (C 1 -C 6 ) alkyl optionally substituted by 1 to 3 halogens or R 3 represents (C 1 -C 6 ) alkoxy carbonyl and R′ 3 represents H; R4 represents methyl optionally substituted by halogen; R 5 represents H, (C 1 -C 6 ) alkyl or (C 7 -C 12 ) arylalkyl; R 6 represents H, fluorine, NO 2 , CF 3 or CN; in the form of enantiomers or mixtures, as well as their salts with acids and bases; their preparation and their application as anti-bacterials, in both human and veterinary medicine.

  本发明的一个主题是化合物的公式(I)：其中R1代表H、OH、NH2、—(CH2)m—NRaRb(m=0、1或2)；Ra和Rb代表H、直链、支链或环状(C1-C6)烷基、(C3-C6)环烷基-(C3-C6)烷基、Rc、S(O)2Rc、C(O)Rc、S(O)2Rd或C(O)Rd；或Ra和Rb与N形成一个Rc基团；Rc代表饱和、不饱和或含有1至4个N、O和S中的杂原子的5-或6-成员芳香环，可选地取代；Rd代表直链、支链或环状(C1-C6)烷基，可选地取代1至4个卤素；或R1代表Rc或CHReRc或CHReRd；Re代表H、OH、NH2、NH—(C1-C6)-烷基或N-(C1-C6)-烷基2，或NH—(C1-C7)-酰基或NHRc；R2代表H、(CH2)m—NRaRb、Rc、CHReRc或CHReRd，而R′2代表H；R1和R2不能同时为H，或者R1和R2或R2和R1不能一个为(CH2)m—NRaRb或Rc或H，另一个为OH，或一个为H，另一个为NH2，或一个为H，另一个为(CH2)m—NRaRb，其中Ra和Rb代表H或烷基或C(O)Rd，其中Rd代表未取代的烷基或环烷基；或R1具有上述定义，除了H，R2和R′2一起表示双取代烷基或烷基氧肟，或者R2和R′2分别表示Rc或Rd和OH、NH2、NHRc或NHRf，其中Rf是(C1-C7)酰基基团；或R1代表H，R2和R′2一起表示烷基氧肟，或一个表示Rc，另一个表示OH、NH2、NHRc或NHRf；n为0或1；R3和R′3表示H或可选地取代1至3个卤素的(C1-C6)烷基，或R3表示(C1-C6)烷氧羰基，R′3表示H；R4表示可选地取代的甲基；R5表示H、(C1-C6)烷基或(C7-C12)芳基烷基；R6表示H、氟、NO2、CF3或CN；以对映体或混合物形式存在，以及它们与酸和碱形成的盐；它们的制备以及它们作为抗菌剂在人类和兽医学中的应用。
• PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO
  申请人：Garizi Negar

  公开号：US20120110701A1

  公开（公告）日：2012-05-03

  This document discloses molecules having the following formula (Formula One) and processes related thereto.

  这份文件揭示了具有以下公式（公式一）的分子及其相关过程。
• PYRIMIDINE DERIVATIVES FOR THE INHIBITION OF IGF-IR TYROSINE KINASE ACTIVITY
  申请人：Thomas Andrew Peter

  公开号：US20090306116A1

  公开（公告）日：2009-12-10

  A compound of formula (I) wherein the substituents are as defined in the text for use in inhibiting insulin-like growth factor 1 receptor activity in a warm blooded animal such as man.

  公式（I）的化合物，其中取代基如文本中定义的那样，用于抑制温血动物（如人）中胰岛素样生长因子1受体活性。
• Pesticidal compositions and processes related thereto
  申请人：Dow AgroSciences LLC

  公开号：EP2901858A1

  公开（公告）日：2015-08-05

  This document discloses molecules having the following formula (Formula One) and processes related thereto.

  本文件公开了具有以下公式（公式一）的分子 及其相关工艺。
• Substituted pyridines as TYK2 inhibitors
  申请人：FronThera U.S. Pharmaceuticals LLC

  公开号：US11053219B2

  公开（公告）日：2021-07-06

  Described herein are pyridine compounds of Formula (XIII) that are useful in treating a TYK2-mediated disorder. In some embodiments, the TYK2-mediated disorder is an autoimmune disorder, an inflammatory disorder, a proliferative disorder, an endocrine disorder, a neurological disorder, or a disorder associated with transplantation

  本文所述的式 (XIII) 吡啶化合物可用于治疗 TYK2 介导的疾病。在某些实施方案中，TYK2-介导的紊乱是自身免疫性紊乱、炎症性紊乱、增殖性紊乱、内分泌紊乱、神经紊乱或与移植相关的紊乱。