3-(叔丁氧基)苯羧酸 | 15360-02-8

• 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: 3-(叔丁氧基)苯羧酸
• 中文别名: 3-叔丁氧基苯甲酸
• 英文名称: m-tert.-Butoxybenzoesaeure
• 英文别名: m-t-Butoxybenzoesaeure；3-t-butoxybenzoic acid；3-tert-butoxybenzoic acid；m-t-butoxybenzoic acid；3-[(2-methylpropan-2-yl)oxy]benzoic acid
• CAS: 15360-02-8
• 化学式: C₁₁H₁₄O₃
• 分子量: 194.23
• InChiKey: IURSJORDCNZJFE-UHFFFAOYSA-N

物化性质

• 沸点：
  317.0±15.0 °C(Predicted)
• 密度：
  1.106±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2918990090
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  3-(叔丁氧基)苯羧酸 在 草酰氯 作用下， 以 四氢呋喃 、 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 3.5h， 生成 3-tert-butoxy-N-[3-({2-[(cyclopropylcarbonyl)amino]imidazo[1,2-b]pyridazin-6-yl}oxy)phenyl]benzamide
  参考文献：
  名称：

  Design and Synthesis of Novel DFG-Out RAF/Vascular Endothelial Growth Factor Receptor 2 (VEGFR2) Inhibitors. 1. Exploration of [5,6]-Fused Bicyclic Scaffolds

  摘要：

  To develop RAF/VEGFR2 inhibitors that bind to the inactive DFG-out conformation, we conducted structure-based drug design using the X-ray cocrystal structures of BRAF, starting from an imidazo[1,2-b]pyridazine derivative. We designed various [5,6]-fused bicyclic scaffolds (ring A, 1-6) possessing an anilide group that forms two hydrogen bond interactions with Cys532. Stabilizing the planarity of this anilide and the nitrogen atom on the six-membered ring of the scaffold was critical for enhancing BRAF inhibition. The selected [1,3]thiazolo[5,4-b]pyridine derivative 6d showed potent inhibitory activity in both BRAF and VEGFR2. Solid dispersion formulation of 6d (6d-SD) maximized its oral absorption in rats and showed significant suppression of ERK1/2 phosphorylation in an A375 melanoma xenograft model in rats by single administration. Tumor regression (T/C = -7.0%) in twice-daily repetitive studies at a dose of 50 mg/kg in rats confirmed that 6d is a promising RAF/VEGFR2 inhibitor showing potent anticancer activity.

  DOI：

  10.1021/jm300126x
• 作为产物：
  描述：

  1-甲基-3-[(2-甲基-2-丙基)氧基]苯 生成 3-(叔丁氧基)苯羧酸
  参考文献：
  名称：

  Kostikov,R.R. et al., Journal of Organic Chemistry USSR (English Translation), 1977, vol. 13, # 9, p. 1721 - 1733

  摘要：

  DOI：

文献信息

• FUSED HETEROCYCLIC DERIVATIVE AND USE THEREOF
  申请人：Sakai Nozomu

  公开号：US20090137595A1

  公开（公告）日：2009-05-28

  The present invention provides a fused heterocyclic derivative having a potent kinase inhibitory activity and use thereof. A compound represented by the formula (I): wherein each symbol is as defined in the specification, except a particular compound, or a salt thereof, and a pharmaceutical agent containing the compound or a prodrug thereof, which is a kinase (VEGFR, VEGFR2, PDGFR, Raf) inhibitor, an angiogenesis inhibitor, an agent for the prophylaxis or treatment of cancer, a cancer growth inhibitor or a cancer metastasis suppressor.

  本发明提供了一种具有强大激酶抑制活性的融合杂环衍生物及其用途。 一种由以下式（I）表示的化合物： 其中除了特定化合物或其盐外，每个符号如规范中定义，以及含有该化合物或其前药的药用剂，该化合物是激酶（VEGFR、VEGFR2、PDGFR、Raf）抑制剂，血管生成抑制剂，用于癌症的预防或治疗的药剂，癌症生长抑制剂或癌症转移抑制剂。
• Substituted phenylimidazopyrazoles and their use
  申请人：BAYER INTELLECTUAL PROPERTY GmbH

  公开号：US20130190290A1

  公开（公告）日：2013-07-25

  The present application relates to novel 1-phenyl-1H-imidazo[1,2-b]pyrazole derivatives, to processes for their preparation, to their use for the treatment and/or prevention of diseases and to their use for preparing medicaments for the treatment and/or prevention of diseases, in particular angiogenic disorders and hyperproliferative disorders, where neovascularization plays a role, such as, for example, neoplastic disorders and tumour disorders. Such treatments can be carried out as monotherapy or else in combination with other medicaments or further therapeutic measures.

  本申请涉及新颖的1-苯基-1H-咪唑[1,2-b]吡唑衍生物，其制备方法，其用于治疗和/或预防疾病以及用于制备用于治疗和/或预防疾病的药物，特别是血管生成障碍和过度增殖障碍，其中血管新生起到作用，例如肿瘤性疾病和肿瘤性疾病。这种治疗可以作为单独治疗，也可以与其他药物或其他治疗措施结合使用。
• [EN] NEW HYDROXYMETHYLBENZOTHIAZOLES AMIDES<br/>[FR] NOUVEAUX AMIDES HYDROXYMETHYLBENZOTHIAZOLES
  申请人：ASTRAZENECA AB

  公开号：WO2006038871A1

  公开（公告）日：2006-04-13

  The present invention relates to new compounds, or salts, solvates or solvated salts thereof, processes for their preparation and to new intermediates used in the preparation thereof, pharmaceutical compositions containing said compounds and to the use of said compounds in therapy.

  本发明涉及新化合物，或其盐、溶剂合物或溶剂化盐，其制备方法以及用于制备的新中间体，含有所述化合物的药物组合物以及所述化合物在治疗中的应用。
• PROTEASOME INHIBITORS
  申请人：Macherla Venkat Rami Reddy

  公开号：US20090298906A1

  公开（公告）日：2009-12-03

  Disclosed herein are compounds of Formula (I) that include a sulfonate ester, ester or ether group. Compounds of Formula (I) can be included in pharmaceutical compositions, and can be used to treating and/or ameliorating a disease or condition, such as cancer, a microbial disease and/or inflammation.

  本文披露了包含磺酸酯、酯或醚基团的化合物(I)。化合物(I)可以包含在药物组合物中，并可用于治疗和/或改善疾病或症状，如癌症、微生物疾病和/或炎症。
• [EN] 1,4-DISUBSTITUTED NAPHTALENES AS INHIBITORS OF P38 MAP KINASE<br/>[FR] NAPHTALENES DISUBSTITUES EN POSITION 1,4 UTILISES COMME INHIBITEURS DE MAP KINASE P38
  申请人：ARQULE INC

  公开号：WO2006010082A1

  公开（公告）日：2006-01-26

  In general, the present invention relates to compounds capable of inhibiting P38, methods for inhibiting P38 in vivo or in vitro, diagnostics for determining activity in the treatment of P38 and/or cytokine-associated conditions and methods for treating conditions associated with P38 activity or cytokine activity.

  一般而言，本发明涉及能够抑制P38的化合物，用于体内或体外抑制P38的方法，用于诊断治疗P38和/或细胞因子相关疾病活性的诊断方法，以及用于治疗与P38活性或细胞因子活性相关的疾病的方法。