5-bromo-2-fluorobenzophenone | 885124-16-3

• 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-fluorobenzophenone
• 英文别名: (5-bromo-2-fluorophenyl)-phenyl-methanone；(5-Bromo-2-fluorophenyl)(phenyl)methanone；(5-bromo-2-fluorophenyl)-phenylmethanone
• CAS: 885124-16-3
• 化学式: C₁₃H₈BrFO
• mdl: MFCD11210569
• 分子量: 279.108
• InChiKey: RERLHWDVTGPLOY-UHFFFAOYSA-N

物化性质

• 沸点：
  379.2±32.0 °C(Predicted)
• 密度：
  1.485±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  16
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  5-bromo-2-fluorobenzophenone 在 三乙基硅烷 、 正丁基锂 、 三氟化硼乙醚 、 三氟乙酸 作用下， 以 四氢呋喃 、 正己烷 、 水 、 甲苯 为溶剂， 反应 2.5h， 生成 (5R,6S,7S)-3a-(4-fluoro-3-benzylphenyl)-5-hydroxymethyl-2-methyl-5,6,7,7a-tetrahydro-3aH-pyran[2,3-d]oxazole-6,7-diol
  参考文献：
  名称：

  葡萄糖苷的二环衍生物及其制备方法和用途

  摘要：

  本发明涉及葡萄糖苷的二环衍生物及其制备方法和用途，具体地，本发明涉及式Ⅰ所示化合物、其立体异构体或药学上可接受的盐或酯，其药物组合物及其用于制备治疗糖尿病或其相关疾病的药物的用途，

  公开号：

  CN108218928B
• 作为产物：
  描述：

  5-溴-2-氟苯甲醛 在 manganese(IV) oxide 作用下， 以 1,4-二氧六环 、 乙醚 为溶剂， 反应 5.0h， 生成 5-bromo-2-fluorobenzophenone
  参考文献：
  名称：

  吲唑-吡啶基蛋白激酶B / Akt抑制剂的合成和SAR。

  摘要：

  报道了一系列含杂芳基吡啶的Akt抑制剂。讨论了合成和结构-活性之间的关系，从而发现了吲唑-吡啶类似物（K（i）= 0.16 nM）。这些化合物在ATP结合位点结合，是有效的，ATP竞争性的和可逆的Akt活性抑制剂。没有观察到该类似物在Akt同工型中的选择性，但是对一组其他激酶具有良好的选择性。它对AGC激酶家族的其他成员的选择性最低，但是对Akt的选择性是PKA的40倍。该化合物显示出细胞活性，并显着减慢了体内肿瘤的生长。

  DOI：

  10.1016/j.bmc.2006.06.047

文献信息

• Inhibitors of P2X3
  申请人：Brotherton-Pleiss E. Christine

  公开号：US20070037974A1

  公开（公告）日：2007-02-15

  Compounds of formula 1 are modulators of P2X3 useful for the treatment of pain and genito-urinary, gastrointestinal, and respiratory disorders: wherein R 1 is —C(═S)CH 3 , pyridyl, pyrimidinyl, pyrazinyl, thiazolyl, furyl, furylcarbonyl, acetyl, or carbamoyl; R 2a and R 2b are independently H, methyl, or ethyl; R 3 is H or methyl; Y is a bond, —(CR 4 R 5 ) n — or —CR 4 ═CR 5 —; wherein R 4 and R 5 are each independently H or methyl and n is 1 or 2; X is N or CH; A is phenyl, 5-membered heterocyclyl, or 6-membered heterocyclyl; R 6 , R 7 and R 8 are each independently H, halo, lower alkyl, cycloalkyl, alkylthio, alkylthio-lower alkyl, alkylsulfonyl-lower alkyl, di(lower alkyl)amino-lower alkyl, morpholinyl-lower alkyl, 4-methyl-piperazinyl-methyl, trifluoromethyl, pyridyl, tetrazolyl, thiophenyl, phenyl, biphenyl, or benzyl (where thiophenyl, phenyl and benzyl are substituted with 0-3 lower alkyl, halo, sulfonamido, trifluoromethyl, lower alkoxy or lower alkylthio) or R 6 and R 7 together form a 5-membered or 6-membered carbocyclic or heterocyclic ring substituted with 0-3 substituents selected from the group consisting of lower alkyl, lower alkoxy, oxo, halo, thiophenyl-lower alkyl, phenyl, benzyl (where phenyl and benzyl are substituted with 0-3 lower alkyl, halo, sulfonamido, trifluoro-methyl, lower alkoxy, lower alkylthio, amino-lower alkyl, lower alkylamino-lower alkyl, or di(lower alkyl)amino-lower alkyl); and pharmaceutically acceptable salts thereof; wherein when R 1 is pyrimidin-2-yl, X is N, Y is a bond and A is oxazol-5-yl the carbon atom at position 4 in said oxazol-5-yl is not substituted by propyl when the carbon atom at position 2 in said oxazol-5-yl is substituted by substituted phenyl and the carbon atom at position 4 in said oxazol-5-yl is not substituted by phenyl when the carbon atom at position 2 is substituted by unsubstituted or substituted phenyl.

  式1的化合物是P2X3的调节剂，用于治疗疼痛和泌尿生殖、胃肠和呼吸系统疾病： 其中 R 1 为—C(═S)CH 3 ，吡啶基，嘧啶基，吡嗪基，噻唑基，呋喃基，呋喃甲酰基，乙酰基或氨基甲酰基；R 2a 和R 2b 独立地为H，甲基或乙基；R 3 为H或甲基；Y为键，—(CR 4 R 5 ) n —或—CR 4 ═CR 5 —；其中R 4 和R 5 各自独立地为H或甲基，n为1或2；X为N或CH；A为苯基，5-成员杂环基或6-成员杂环基；R 6 ，R 7 和R 8 各自独立地为H，卤素，低碳基，环烷基，烷基硫醚，烷基硫醚-低碳基，烷基磺酰基-低碳基，二(低碳基)氨基-低碳基，吗啉基-低碳基，4-甲基哌嗪基-甲基，三氟甲基，吡啶基，四唑基，噻吩基，苯基，联苯基或苄基（其中噻吩基，苯基和苄基被0-3个低碳基，卤素，磺酰胺基，三氟甲基，低烷氧基或低烷硫基取代）或R 6 和R 7 一起形成一个被0-3个取自由低碳基，低烷氧基，氧代基，卤素，噻吩基-低碳基，苯基，苄基（其中苯基和苄基被0-3个低碳基，卤素，磺酰胺基，三氟甲基，低烷氧基，低烷硫基，氨基-低碳基，烷基氨基-低碳基或二(低碳基)氨基-低碳基取代）的5-成员或6-成员碳环或杂环取代环；及其药学上可接受的盐；其中当R 1 为嘧啶-2-基时，X为N，Y为键，A为噁唑-5-基时，所述噁唑-5-基中位置4的碳原子在所述噁唑-5-基中位置2的碳原子被取代的苯基取代时不被丙基取代，且所述噁唑-5-基中位置4的碳原子在位置2被取代的苯基取代时不被苯基取代。
• Benzodiazepine derivatives that inhibit rock
  申请人：GlaxoSmithKline LLC

  公开号：US07888503B2

  公开（公告）日：2011-02-15

  The present invention relates to dihydrobenzodiazepine derivatives, compositions and medicaments containing the same, as well as processes for the preparation and use of such compounds, compositions and medicaments. Such dihydrobenzodiazepine derivatives are useful in the treatment of diseases associated with inappropriate ROCK kinase.

  本发明涉及二氢苯并二氮平衍生物，含有这些化合物的组合物和药物，以及制备和使用这些化合物、组合物和药物的方法。这些二氢苯并二氮平衍生物在治疗与不适当的ROCK激酶相关的疾病方面是有用的。
• CHEMICAL COMPOUNDS
  申请人：Alberti Michael John

  公开号：US20090143366A1

  公开（公告）日：2009-06-04

  The present invention relates to dihydrobenzodiazepine derivatives, compositions and medicaments containing the same, as well as processes for the preparation and use of such compounds, compositions and medicaments. Such dihydrobenzodiazepine derivatives are useful in the treatment of diseases associated with inappropriate ROCK kinase.

  本发明涉及二氢苯二氮平衍生物、含有该衍生物的组合物和药物，以及制备和使用这些化合物、组合物和药物的方法。这些二氢苯二氮平衍生物在治疗与不适当的ROCK激酶有关的疾病方面是有用的。
• 2-Aminothiadiazole inhibitors of AKT1 as potential cancer therapeutics
  作者：Qingping Zeng、Matthew P. Bourbeau、G. Erich Wohlhieter、Guomin Yao、Holger Monenschein、James T. Rider、Matthew R. Lee、Shiwen Zhang、Julie Lofgren、Daniel Freeman、Chun Li、Elizabeth Tominey、Xin Huang、Douglas Hoffman、Harvey Yamane、Andrew S. Tasker、Celia Dominguez、Vellarkad N. Viswanadhan、Randall Hungate、Xiaoling Zhang

  DOI：10.1016/j.bmcl.2010.01.046

  日期：2010.3

  A series of 2-aminothiadiazole of inhibitors of AKT1 is described. SAR relationships are discussed, along with selectivity for protein kinase A (PKA) and cyclin-dependent kinase 2 (CDK2). Moderate selectivity observed in several compounds for AKT1 versus PKA is rationalized by X-ray crystallographic analysis. Key compounds showed activity in cellular assays measuring phosphorylation of two AKT substrates, PRAS40 and FKHRL1. Compound 30 was advanced to a mouse liver PD assay, where it showed dose-dependent inhibition of AKT activity, as measured by the inhibition of phospho-PRAS40. (C) 2010 Elsevier Ltd. All rights reserved.
• WO2006/44753
  申请人：——

  公开号：——

  公开（公告）日：——