N-boc-4-氨基-2-氯苄胺 | 400720-72-1

• 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: N-boc-4-氨基-2-氯苄胺
• 英文名称: tert-butyl (4-amino-2-chlorobenzyl)carbamate
• 英文别名: N-Boc-4-amino-2-chlorobenzylamine；tert-butyl N-[(4-amino-2-chlorophenyl)methyl]carbamate
• CAS: 400720-72-1
• 化学式: C₁₂H₁₇ClN₂O₂
• 分子量: 256.732
• InChiKey: FWADADMZZLUECL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  64.4
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-boc-4-氨基-2-氯苄胺 在 三乙胺 、 三氟乙酸 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 N-[3-chloro-4-[[(2-chloroquinazolin-4-yl)amino]methyl]phenyl]-4-fluorobenzamide
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of New Diaminoquinazolines as β-Catenin/Tcf4 Pathway Inhibitors

  摘要：

  More than 50 new diaminoquinazoline derivatives have been synthesized and evaluated in a colon carcinoma cell growth inhibition assay using HCT116 and SW480 cells. Twenty compounds with good cell growth inhibitory activities (<4 mu M) were tested as inhibitors of the beta-catenin/T cell transcription factor 4 (Tcf4) signaling pathway using a HCT116 cell-based luciferase reporter assay. Results from the biological activities as well as the comparative molecular field analysis (CoMFA) of the properties of the molecules yielded a preliminary structure-activity relationship (SAR). Three potent compounds, 74, 78, and 86, showed IC50 values <1 mu M for growth inhibition of HCT116 cells and similar to 1 mu M for SW480 cells, as well as IC50 values of 1.5-2.5 mu M for HCT116 cells with the luciferase reporter assay.

  DOI：

  10.1021/jm201494a
• 作为产物：
  描述：

  2-氯-4-氨基苯腈 在 lithium aluminium tetrahydride 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 反应 5.0h， 生成 N-boc-4-氨基-2-氯苄胺
  参考文献：
  名称：

  Design, Synthesis, and Biological Evaluation of New Diaminoquinazolines as β-Catenin/Tcf4 Pathway Inhibitors

  摘要：

  More than 50 new diaminoquinazoline derivatives have been synthesized and evaluated in a colon carcinoma cell growth inhibition assay using HCT116 and SW480 cells. Twenty compounds with good cell growth inhibitory activities (<4 mu M) were tested as inhibitors of the beta-catenin/T cell transcription factor 4 (Tcf4) signaling pathway using a HCT116 cell-based luciferase reporter assay. Results from the biological activities as well as the comparative molecular field analysis (CoMFA) of the properties of the molecules yielded a preliminary structure-activity relationship (SAR). Three potent compounds, 74, 78, and 86, showed IC50 values <1 mu M for growth inhibition of HCT116 cells and similar to 1 mu M for SW480 cells, as well as IC50 values of 1.5-2.5 mu M for HCT116 cells with the luciferase reporter assay.

  DOI：

  10.1021/jm201494a

文献信息

• ALICYCLIC HETEROCYCLIC COMPOUND
  申请人：Mitsubishi Tanabe Pharma Corporation

  公开号：EP1970373A1

  公开（公告）日：2008-09-17

  An alicyclic heterocyclic compound represented by the following formula or a pharmaceutically acceptable salt thereof: wherein ring A is a heterocyclic ring, ring B is a carbocyclic ring, a heterocyclic ring etc., P1 and P2 are CH or N, q and r are 0 to 2, X is -NH-, -O-, -CH2-, etc., Y is -CH2-, -CO-, -SO2-, etc., Z is -CO-, -SO2-, etc., and R3 is carbocyclic group, heterocyclic group, hydroxyl, alkoxy or amino, is useful as a controlling agent of the function of CCR4 useful for the prevention or treatment for bronchial asthma, atopic dermatitis, etc.

  以下是该公式表示的脂环杂环化合物或其药用可接受盐： 其中环A是杂环，环B是碳环，杂环等，P1和P2是CH或N，q和r为0至2，X为-NH-，-O-，-CH2-等，Y为-CH2-，-CO-，-SO2-等，Z为-CO-，-SO2-等，R3为碳环基团，杂环基团，羟基，烷氧基或氨基， 可用作CCR4功能的控制剂，用于预防或治疗支气管哮喘，特应性皮炎等。
• Phenylglycinamide and pyridylglycinamide derivatives useful as anticoagulants
  申请人：Zhang Xiaojun

  公开号：US20070003539A1

  公开（公告）日：2007-01-04

  The present invention provides novel phenylglycinamide derivatives of Formula (I) or (IV): or a stereoisomer, tautomer, pharmaceutically acceptable salt, solvate, or prodrug thereof, wherein the variables W, W 1 , Y, Z, R 7 , R 8 , R 9 , and R 11 are as defined herein. These compounds are selective inhibitors of factor VIIa which can be used as medicaments.

  本发明提供了式(I)或(IV)的新型苯基甘氨酰衍生物：或其立体异构体、互变异构体、药学上可接受的盐、溶剂合物或前药，其中变量W、W1、Y、Z、R7、R8、R9和R11如本文所定义。这些化合物是选择性因子VIIa的抑制剂，可用作药物。
• Aromatic heterocyclic non-covalent inhibitors of urokinase and blood vessel formation
  申请人：——

  公开号：US20030207842A1

  公开（公告）日：2003-11-06

  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 at a group having a 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型化合物。这些化合物具有含有胍基基团或其衍生物的基团。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或降低尿激酶活性而改善的病症，并用于治疗血管形成与病理病症相关的病理病症。
• Alicyclic Heterocyclic Compound
  申请人：Furukubo Shigeru

  公开号：US20090182140A1

  公开（公告）日：2009-07-16

  An alicyclic heterocyclic compound represented by the following formula or a pharmaceutically acceptable salt thereof: wherein ring A is a heterocyclic ring, ring B is a carbocyclic ring, a heterocyclic ring etc., P 1 and P 2 are CH or N, q and r are 0 to 2, X is —NH—, —O—, —CH 2 —, etc., Y is —CH 2 —, —CO—, —SO 2 —, etc., Z is —CO—, —SO 2 —, etc., and R 3 is carbocyclic group, heterocyclic group, hydroxyl, alkoxy or amino, is useful as a controlling agent of the function of CCR 4 useful for the prevention or treatment for bronchial asthma, atopic dermatitis, etc.

  以下式子所示的脂环杂环化合物或其药学上可接受的盐： 其中环A为杂环，环B为碳环，杂环等，P1和P2为CH或N，q和r为0至2，X为—NH—，—O—，—CH2—等，Y为—CH2—，—CO—，—SO2—等，Z为—CO—，—SO2—等，R3为碳环基团，杂环基团，羟基，烷氧基或氨基，用作CCR4功能调节剂，用于预防或治疗支气管哮喘，特应性皮炎等。
• Synthesis and structural optimization of multiple H-bonding region of diarylalkyl (thio)amides as novel TRPV1 antagonists
  作者：Fu-Nan Li、Nam-Jung Kim、Dong-Jo Chang、Jaebong Jang、Hannah Jang、Jong-Wha Jung、Kyung-Hoon Min、Yeon-Su Jeong、Sun-Young Kim、Young-Ho Park

  DOI：10.1016/j.bmc.2009.10.043

  日期：2009.12.15

  Structural optimization of multiple H-bonding region and structure-activity relationship of diarylalkyl amides/thioamides as novel TRPV1 antagonists are described. In particular, we identified amide 34o and thioamides 35o and 35r, of which antagonistic activities were highly enhanced by an incorporation of cyano or vinyl-substituent to the multiple H-bonding region. They exhibited potent Ca-45(2+) uptake inhibitions in rat DRG neuron with IC(50)s of 25, 32 and 28 nM, respectively. (C) 2009 Elsevier Ltd. All rights reserved.