(5-Bromo-2-iodo-benzyl)-ethyl-amine | 1175525-90-2

• 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: (5-Bromo-2-iodo-benzyl)-ethyl-amine
• 英文别名: N-[(5-bromo-2-iodophenyl)methyl]ethanamine
• CAS: 1175525-90-2
• 化学式: C₉H₁₁BrIN
• 分子量: 340.002
• InChiKey: HJKLJAYSZFRYHK-UHFFFAOYSA-N

物化性质

• 沸点：
  327.2±27.0 °C(Predicted)
• 密度：
  1.829±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  12
• 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：
  12
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  (5-Bromo-2-iodo-benzyl)-ethyl-amine 在 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 乙二醇二甲醚 、 二氯甲烷 、 水 为溶剂， 生成 {4'-bromo-2'-[(tert-butoxycarbonyl-ethyl-amino)-methyl]-6-methoxy-biphenyl-3-yl}-acetic acid ethyl ester
  参考文献：
  名称：

  Sodium [2′-[(cyclopropanecarbonyl-ethyl-amino)-methyl]-4′-(6-ethoxy-pyridin-3-yl)-6-methoxy-biphenyl-3-yl]-acetate (AM432): A potent, selective prostaglandin D2 receptor antagonist

  摘要：

  Compound 21 (AM432) was identified as a potent and selective antagonist of the DP2 receptor (CRTH2). Modification of a bi-aryl core identified a series of tri-aryl antagonists of which compound 21 proved a viable clinical candidate. AM432 shows excellent potency in a human whole blood eosinophil shape change assay with prolonged incubation, a comparatively long off-rate from the DP2 receptor, excellent pharmacokinetics in dog and in vivo activity in two mouse models of inflammatory disease after oral dosing. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.016
• 作为产物：
  描述：

  5-溴-2-碘苯甲腈 在 二异丁基氢化铝 、 sodium cyanoborohydride 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 为溶剂， 生成 (5-Bromo-2-iodo-benzyl)-ethyl-amine
  参考文献：
  名称：

  Sodium [2′-[(cyclopropanecarbonyl-ethyl-amino)-methyl]-4′-(6-ethoxy-pyridin-3-yl)-6-methoxy-biphenyl-3-yl]-acetate (AM432): A potent, selective prostaglandin D2 receptor antagonist

  摘要：

  Compound 21 (AM432) was identified as a potent and selective antagonist of the DP2 receptor (CRTH2). Modification of a bi-aryl core identified a series of tri-aryl antagonists of which compound 21 proved a viable clinical candidate. AM432 shows excellent potency in a human whole blood eosinophil shape change assay with prolonged incubation, a comparatively long off-rate from the DP2 receptor, excellent pharmacokinetics in dog and in vivo activity in two mouse models of inflammatory disease after oral dosing. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.12.016

文献信息

• N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS
  申请人：HUTCHINSON John Howard

  公开号：US20090197959A1

  公开（公告）日：2009-08-06

  Described herein are compounds that are antagonists of PGD 2 receptors. Also described are pharmaceutical compositions that include the compounds described herein, and methods of using such antagonists of PGD 2 receptors, alone or in combination with other compounds, for treating respiratory, cardiovascular, and other PGD 2 -dependent or PGD 2 -mediated conditions or diseases.

  本发明描述了PGD2受体的拮抗剂化合物。同时，还描述了包含本发明所述化合物的药物组合物，以及使用这些PGD2受体拮抗剂的方法，单独使用或与其他化合物联合使用，用于治疗呼吸系统、心血管系统以及其它依赖或由PGD2介导的条件或疾病。
• N,N-disubstituted aminoalkylbiphenyl antagonists of prostaglandin D2 receptors
  申请人：Panmira Pharmaceuticals, LLC

  公开号：US08067445B2

  公开（公告）日：2011-11-29

  Described herein are compounds that are antagonists of PGD2 receptors. Also described are pharmaceutical compositions and medicaments that include the compounds described herein that are antagonists of PGD2 receptors. Also described herein are methods of using such antagonists of PGD2 receptors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other PGD2-dependent or PGD2-mediated conditions or diseases.

  本文描述了一些PGD2受体拮抗剂化合物。还描述了包含这些PGD2受体拮抗剂化合物的药物组合物和药物。本文还描述了使用这些PGD2受体拮抗剂，单独或与其他化合物结合，治疗呼吸系统、心血管系统和其他依赖或介导于PGD2的疾病或病症的方法。
• OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS
  申请人：Hutchinson John Howard

  公开号：US20120184496A1

  公开（公告）日：2012-07-19

  Described herein are ophthalmic pharmaceutical compositions, wherein the ophthalmic pharmaceutical compositions are in a form suitable for administration to an eye of a mammal. Ophthalmic pharmaceutical compositions disclosed herein include at least one DP 2 receptor antagonist compound and are used to treat or prevent ophthalmic diseases or conditions.

  本文描述了眼科药物组合物，其中眼科药物组合物以适合哺乳动物眼部给药的形式存在。本文所披露的眼科药物组合物包括至少一种DP2受体拮抗剂化合物，并用于治疗或预防眼科疾病或状况。
• Ophthalmic pharmaceutical compositions of DP2 receptor antagonists
  申请人：Hutchinson John Howard

  公开号：US08785393B2

  公开（公告）日：2014-07-22

  Described herein are ophthalmic pharmaceutical compositions, wherein the ophthalmic pharmaceutical compositions are in a form suitable for administration to an eye of a mammal. Ophthalmic pharmaceutical compositions disclosed herein include at least one DP2 receptor antagonist compound and are used to treat or prevent ophthalmic diseases or conditions.

  本文描述了眼科药物组合物，其中眼科药物组合物以适合哺乳动物眼部给药的形式存在。本文所披露的眼科药物组合物包括至少一种DP2受体拮抗剂化合物，并用于治疗或预防眼科疾病或病况。
• OPHTHALMIC PHARMACEUTICAL COMPOSITIONS OF DP2 RECEPTOR ANTAGONISTS
  申请人：Panmira Pharmaceuticals, LLC

  公开号：EP2461809A2

  公开（公告）日：2012-06-13