2-amino-3-(4-nitrophenyl)propan-1-ol | 89288-22-2

• 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: 2-amino-3-(4-nitrophenyl)propan-1-ol
• 英文别名: Racemat des 2-Amino-3-(4-nitro-phenyl)-propan-1-ols；racemat of 2-amino-3-(4-nitro-phenyl)-propan-1-ol；p-nitrophenyl alaninol；b-Amino-4-nitrobenzenepropanol
• CAS: 89288-22-2
• 化学式: C₉H₁₂N₂O₃
• 分子量: 196.206
• InChiKey: PCLGMKWXPXAGEO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  92.1
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-amino-3-(4-nitrophenyl)propan-1-ol 在 sodium tetrahydroborate 作用下， 以 甲醇 、 苯 为溶剂， 反应 40.0h， 生成 2-(benzylamino)-3-(4-nitrophenyl)propan-1-ol
  参考文献：
  名称：

  用于放射免疫治疗应用的七齿双功能配体的方便合成和评估

  摘要：

  开发了一种用于抗体靶向放射免疫疗法 (RIT) 应用的双功能螯合剂 C-NE3TA-NCS 的有效合成路线。探索了以关键反应步骤为中心的各种合成方法，包括双分子环化、氮丙啶和氮丙啶阳离子的开环反应以及还原胺化，以优化四氮杂基螯合物 TANPA 和 C-NE3TA 类似物的制备。七齿 C-NE3TA-NCS 与肿瘤靶向抗体偶联，并与六齿 C-NOTA-NCS 进行比较，用于与镧系元素进行 RIT 的放射性标记反应动力学。与 C-NOTA 抗体偶联物相比，C-NE3TA 抗体偶联物与 90Y 的络合动力学显着增强。

  DOI：

  10.1002/ejoc.201101063
• 作为产物：
  描述：

  methyl 2-amino-3-(4-nitrophenyl)propionate 在 sodium tetrahydroborate 作用下， 以 甲醇 为溶剂， 反应 4.0h， 生成 2-amino-3-(4-nitrophenyl)propan-1-ol
  参考文献：
  名称：

  Rational Design and Generation of a Bimodal Bifunctional Ligand for Antibody-Targeted Radiation Cancer Therapy

  摘要：

  An antibody-targeted radiation therapy (radioimmunotherapy, RIT) employs a bifunctional ligand that can effectively hold a cytotoxic metal with clinically acceptable complexation kinetics and stability while being attached to a tumor-specific antibody. Clinical exploration of the therapeutic potential of RIT has been challenged by the absence of adequate ligand, a critical component for enhancing the efficacy of the cancer therapy. To address this deficiency, the bifunctional ligand C-NETA in a unique structural class possessing both a macrocyclic cavity and a flexible acyclic moiety was designed. The practical, reproducible, and readily scalable synthetic route to C-NETA was developed, and its potential as the chelator of Bi-212, Bi-213, and Lu-177 for RIT was evaluated in vitro and in vivo. C-NETA rapidly binds both Lu(III) and Bi(III), and the respective metal complexes remain extremely stable in serum for 14 days. Lu-177-C-NETA and Bi-205/6-C-NETA possess an excellent or acceptable in vivo biodistribution profile.

  DOI：

  10.1021/jm070401q

文献信息

• 양전자 방출 단층 촬영용 화합물
  申请人：ENDOCYTE, INC. 엔도사이트, 인코포레이티드(520040372060)

  公开号：KR20160079887A

  公开（公告）日：2016-07-06

  본원에 개시된 것은 양전자 방출 단층 촬영을 이용하여 병원성 질환을 진단 및/또는 모니터링하기 위한 화합물, 조성물 및 방법이다. 또한 개시된 것은 B가 비타민 수용체 결합 리간드 (예컨대 폴레이트), PSMA 결합 리간드 또는 PSMA 억제제로부터 선택되는 표적화제의 라디칼이며; L이 아스파르트산, 라이신, 또는 아르기닌을 포함하는 2가 링커이고; P가 조영제 또는 방사선 요법제, 예컨대 방사성 핵종 또는 방사성 핵종 함유 기의 라디칼, 또는 방사성 핵종, 예컨대 금속 킬레이팅 기에 결합할 수 있는 화합물의 라디칼인 화학식 B-L-P의 콘쥬게이트이다.

  本发明涉及利用正电子发射断层扫描诊断和/或监测病原性疾病的化合物、组合物和方法。此外，所述的是B是维生素受体结合配体（例如聚谷酸）、PSMA结合配体或PSMA抑制剂中选择的靶向剂的基团；L是包含天冬氨酸、赖氨酸或精氨酸的2价连接基；P是造影剂或放射治疗剂，例如放射性核素或含有放射性核素的基团，或者是可与放射性核素，例如金属螯合基结合的化合物的基团的化学式B-L-P的共轭物。
• [EN] ANTIBODY DRUG CONJUGATES<br/>[FR] CONJUGUÉS ANTICORPS-MÉDICAMENT
  申请人：NOVARTIS AG

  公开号：WO2016203432A1

  公开（公告）日：2016-12-22

  This application discloses anti-P-cadherin antibodies, antigen binding fragments thereof, and antibody drug conjugates of said antibodies or antigen binding fragments, particularly antibody drug conjugates comprising anti-P-cadherin antibodies conjugated to auristatin analogs. The invention also relates to methods of treating cancer using the antibody drug conjugates. Also disclosed herein are methods of making the antibodies, antigen binding fragments, and antibody drug conjugates, and methods of using the antibodies and antigen binding fragments as diagnostic reagents.

  该应用程序披露了抗P-钙粘蛋白抗体、其抗原结合片段，以及所述抗体或抗原结合片段的抗体药物偶联物，特别是包括与奥利司他汀类似物偶联的抗P-钙粘蛋白抗体的抗体药物偶联物。该发明还涉及使用抗体药物偶联物治疗癌症的方法。本文还披露了制备抗体、抗原结合片段和抗体药物偶联物的方法，以及将抗体和抗原结合片段用作诊断试剂的方法。
• Stable Aziridinium Salts as Versatile Intermediates: Isolation and Regio- and Stereoselective Ring-Opening and Rearrangement
  作者：Hyun A. Song、Mamta Dadwal、Yeseul Lee、Emily Mick、Hyun-Soon Chong

  DOI：10.1002/anie.200805244

  日期：2009.2.2

  Rock trapping and exploration: Aziridinium bromide salts were discovered serendipitously during bromination of N,N‐dicarboxymethylated β‐amino alcohols. Regiospecific ring‐opening and rearrangement of the isolated, surprisingly stable aziridinium salts produces useful molecules including C‐functionalized oxomorpholines and α,β‐unsaturated amines.

  岩石捕获和勘探：在N，N-二羧甲基化的β-氨基醇的溴化过程中偶然发现了氮丙啶鎓盐。区域特异性的开环和重排，分离出的稳定的叠氮鎓盐可产生有用的分子，包括C-官能化的吗啉和α，β-不饱和胺。
• [EN] A NOVEL AND AN IMPROVED PROCESS FOR THE PREPARATION OF (S)-4-(4-AMINOBENZYL)-2- OXAZOLIDINONE<br/>[FR] NOUVEAU PROCEDE AMELIORE DE PREPARATION DE (S)-4-(4-AMINOBENZYL)-2- OXAZOLIDINONE
  申请人：NATCO PHARMA LTD

  公开号：WO2004063175A1

  公开（公告）日：2004-07-29

  The invention disclosed in this application relates to an improved process for the preparation of the oxazolidinone of formula (I) It comprises (i) Preparing the 4-nitro-(S)-phenylalaninol of formula (IV) by conventional methods. (ii) Reducing the nitro compound of formula (IV), (iii) Reacting the resulting novel compound of the formula (II) with dialkyl carbonate at a temperature in the range of 80-200 °C. to produce the compound of the formula I. The compound of the formula I is useful for the preparation of zolmitriptan which is an important drug for the treatment of migraine.

  本申请所披露的发明涉及一种改进的制备式(I)噁唑烷酮的工艺。它包括以下步骤：(i)通过常规方法制备式(IV)的4-硝基-(S)-苯丙氨醇。(ii)还原式(IV)的硝基化合物，(iii)将得到的新型化合物式(II)与二烷基碳酸酯在80-200℃的温度范围内反应，以产生式(I)化合物。式(I)化合物有助于制备左旋舒米曲坦，该药物是治疗偏头痛的重要药物。
• ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF
  申请人：Cheng Heng

  公开号：US20110027274A1

  公开（公告）日：2011-02-03

  Antiproliferative compounds having a structure represented by formula (II), where n, R 1 , R 2 , R 3 , R 4 , and R 5 are as defined herein, can be used to treat tumors, optionally when conjugated to a ligand such as an antibody:

  具有以下式子（II）所代表结构的抗增殖化合物，其中n，R1，R2，R3，R4和R5的定义如本文所述，可用于治疗肿瘤，可选择将其与配体（例如抗体）结合使用：