2-((烯丙氧基)甲基)-1-(2-氯乙氧基)-4-硝基苯 | 937273-31-9

• 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-((烯丙氧基)甲基)-1-(2-氯乙氧基)-4-硝基苯
• 英文名称: 1-(2-chloroethoxy)-2-((allyloxy)methyl)-4-nitrobenzene
• 英文别名: 2-allyloxymethyl-1-(2-chloroethoxy)-4-nitrobenzene；2-allyloxymethyl-1-(2-chloro-ethoxy)-4-nitro-benzene；2-((Allyloxy)methyl)-1-(2-chloroethoxy)-4-nitrobenzene；1-(2-chloroethoxy)-4-nitro-2-(prop-2-enoxymethyl)benzene
• CAS: 937273-31-9
• 化学式: C₁₂H₁₄ClNO₄
• 分子量: 271.7
• InChiKey: LQGMNQQLHCLEQT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  18
• 可旋转键数：
  7
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  64.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  2-((烯丙氧基)甲基)-1-(2-氯乙氧基)-4-硝基苯 在 RuCl2(1,3-dimesityl-imidazolidin-2-yl)(PCy3)(=CHPh) 、 盐酸 、 tin(II) chloride dihdyrate 、 水 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基乙酰胺 、 正丁醇 为溶剂， 反应 37.0h， 生成 15-(2-(pyrrolidin-1-yl)ethoxy)-4,7,12-trioxa-19,21,24-triazatetracyclo[18.3.1.1(2,5).1(14,18)]hexacosa-1(24),2,5(25),9,14(26),15,17,20,22-nonaene
  参考文献：
  名称：

  Discovery of the Macrocycle (9E)-15-(2-(Pyrrolidin-1-yl)ethoxy)-7,12,25-trioxa-19,21,24-triaza-tetracyclo[18.3.1.1(2,5).1(14,18)]hexacosa-1(24),2,4,9,14(26),15,17,20,22-nonaene (SB1578), a Potent Inhibitor of Janus Kinase 2/Fms-LikeTyrosine Kinase-3 (JAK2/FLT3) for the Treatment of Rheumatoid Arthritis

  摘要：

  Herein, we describe the synthesis and SAR of a series of small molecule macrocycles that selectively inhibit JAK2 kinase within the JAK family and FLT3 kinase. Following a multiparameter optimization of a key aryl ring of the previously described SB1518 (pacritinib), the highly soluble 141 was selected as the optimal compound. Oral efficacy in the murine collagen-induced arthritis (CIA) model for rheumatoid arthritis (RA) supported 141 as a potential treatment for autoimmune diseases and inflammatory disorders such as psoriasis and RA. Compound 141 (SB1578) was progressed into development and is currently undergoing phase 1 clinical trials in healthy volunteers.

  DOI：

  10.1021/jm201454n
• 作为产物：
  描述：

  2-(2-氯乙氧基)-5-硝基苯甲醛 在 甲醇 、 氢氧化钾 、 sodium tetrahydroborate 、 四丁基碘化铵 作用下， 反应 0.5h， 生成 2-((烯丙氧基)甲基)-1-(2-氯乙氧基)-4-硝基苯
  参考文献：
  名称：

  WO2008/60248

  摘要：

  公开号：

文献信息

• OXYGEN LINKED PYRIMIDINE DERIVATIVES
  申请人：Blanchard Stephanie

  公开号：US20120196855A1

  公开（公告）日：2012-08-02

  The present invention relates to pyrimidine compounds that are useful as anti-proliferative agents. More particularly, the present invention relates to oxygen linked and substituted pyrimidine compounds, methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of proliferative disorders. These compounds may be useful as medicaments for the treatment of a number of proliferative disorders including tumours and cancers as well as other disorders or conditions related to or associated with kinases.

  本发明涉及嘧啶化合物，其作为抗增殖剂具有用处。更具体地说，本发明涉及氧连接和取代的嘧啶化合物，其制备方法，含有这些化合物的制药组合物以及这些化合物在治疗增殖性疾病方面的用途。这些化合物可用作治疗许多增殖性疾病，包括肿瘤和癌症以及与激酶相关或相关的其他疾病或病况的药物。
• HETEROALKYL LINKED PYRIMIDINE DERIVATIVES
  申请人：Blanchard Stephanie

  公开号：US20090258886A1

  公开（公告）日：2009-10-15

  The present invention relates to pyrimidine compounds that are useful as anti-proliferative agents. More particularly, the present invention relates to heteroalkyl linked and substituted pyrimidine compounds, methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of proliferative disorders. These compounds may be useful as medicaments for the treatment of a number of proliferative disorders including tumours and cancers as well as other conditions or disorders associated with kinases.

  本发明涉及用作抗增殖剂的嘧啶化合物。更具体地说，本发明涉及杂原子烷基连接和取代的嘧啶化合物，其制备方法，含有这些化合物的制药组合物以及在治疗增殖性疾病中使用这些化合物的用途。这些化合物可能作为药物对许多增殖性疾病，包括肿瘤和癌症以及与激酶相关的其他疾病或疾病的治疗有用。
• Oxygen linked pyrimidine derivatives
  申请人：CTI BIOPHARMA CORP.

  公开号：US11135227B2

  公开（公告）日：2021-10-05

  The present invention relates to pyrimidine compounds that are useful as anti-proliferative agents. More particularly, the present invention relates to oxygen linked and substituted pyrimidine compounds, methods for their preparation, pharmaceutical compositions containing these compounds and uses of these compounds in the treatment of proliferative disorders. These compounds may be useful as medicaments for the treatment of a number of proliferative disorders including tumours and cancers as well as other disorders or conditions related to or associated with kinases.

  本发明涉及可用作抗增殖剂的嘧啶化合物。 更具体地说，本发明涉及氧连接和取代的嘧啶化合物、其制备方法、含有这些化合物的药物组合物以及这些化合物在治疗增殖性疾病中的用途。 这些化合物可用作治疗多种增殖性疾病的药物，包括肿瘤和癌症以及与激酶有关或相关的其他疾病或病症。
• Design and Synthesis of Janus Kinase 2 (JAK2) and Histone Deacetlyase (HDAC) Bispecific Inhibitors Based on Pacritinib and Evidence of Dual Pathway Inhibition in Hematological Cell Lines
  作者：Eugene Guorong Yang、Nurulhuda Mustafa、Eng Chong Tan、Anders Poulsen、Pondy Murugappan Ramanujulu、Wee Joo Chng、Jeffrey J. Y. Yen、Brian W. Dymock

  DOI：10.1021/acs.jmedchem.6b00157

  日期：2016.9.22

  Blockage of more than one oncoptotein or pathway is now a standard approach in modem cancer therapy. Multiple inhibition is typically achieved with two or more drugs. Herein, we describe a pharmacophore Merging strategy combining the JAK2/FLT3 inhibitor pacritnib with the pan-HDAC inhibitor, vorinostat, to create bispecific single molecules with both JAK and HDAC targeted inhibition. A preferred ether hydroxamate, 51, inhibits JAK2 and HDAC6 with low nanomolar potency, is <100 nM potent against HDACs 2 and potent against HDACs 1, 8, and 11, and >50-, fold selective for JAK2 in a panel of 97 kinases. Broad cellular antiproliferative potency is supported by demonstration of JAK-STAT and HDAC pathway blockade in several hematological cell lines, inhibition of colony formation in HEL cells, and analysis of apoptosis. This study provides new tool compounds for further exploration of dual JAK-HDAC pathway inhibiton achieved with a single molecule.
• WO2007/58627
  申请人：——

  公开号：——

  公开（公告）日：——