2-溴-1-(吡啶-2-基)丙烷-1-酮 | 231298-56-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 2-溴-1-(吡啶-2-基)丙烷-1-酮
• 中文别名: 2-溴-5,6-二氟-2,3-二氢-1H-茚满-1-一
• 英文名称: 2-bromo-1-(pyridin-2-yl)propan-1-one
• 英文别名: 2-Bromo-1-(pyridin-2-yl)-1-propanone；2-Bromo-1-(2-pyridyl)-1-propanone；2-bromo-1-pyridin-2-ylpropan-1-one
• CAS: 231298-56-9
• 化学式: C₈H₈BrNO
• 分子量: 214.062
• InChiKey: YUHLUAKEWIXBCM-UHFFFAOYSA-N

物化性质

• 沸点：
  257.3±15.0 °C(Predicted)
• 密度：
  1.483±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  30
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 海关编码：
  2933399090

反应信息

• 作为反应物：
  描述：

  2-溴-1-(吡啶-2-基)丙烷-1-酮 在 sodium methylate 、 三乙胺 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 16.5h， 生成 1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-pyridin-2-yl-1,3-dihydro-imidazol-2-one
  参考文献：
  名称：

  1-(3-Cyanobenzylpiperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydroimidazol-2-one:  A Selective High-Affinity Antagonist for the Human Dopamine D₄ Receptor with Excellent Selectivity over Ion Channels

  摘要：

  After the requirement of pseudocycle formation in the ureas 3 and 7 for hD(4) binding and selectivity was confirmed, structural hybridization with the known hD(4) ligand 2 led to the design and identification of the lead 4-(2-oxo-1,3-dihydroimidazol-2-yl)piperidine . Optimization studies were carried out on 8 with the aim of achieving 1000-fold selectivity for hD(4) over all other receptors while retaining the good pharmacokinetic properties of the lead. After initial preparation of 8 as a minor component in a low-yielding reaction, a novel and regioselective "four-step/one-pot'' procedure was developed which proved to be applicable to rapid investigation of the SAR of the 1,3-dihydroimidazol-2-one ring. Various changes to substituents attached to the 3-, 4-, or B-position of the 1,3-dihydroimidazol-2-one core of 8 did not significantly improve selectivity for hD(4) over hD(2) and hD(3). Greater Selectivity( > 1000-foId) was ultimately achieved by meta substitution of the benzyl group of 8 with various substituents. Compounds 28, 31, and 32 all possess the required selectivity for hD(4) over the other dopamine subtypes, but only 32 has > 1000-fold selectivity over-all the key counterscreens we tested against. Compound 32 is an antagonist at hD(4) and has a good pharmacokinetic profile in the rat, with excellent estimated in vivo receptor occupancy, thus making it a potentially useful pharmacological tool to investigate the role of the D-4 receptor.

  DOI：

  10.1021/jm991029k
• 作为产物：
  描述：

  2-氰基吡啶 在 三氯化铝 、 溴 作用下， 以 乙醚 为溶剂， 反应 6.0h， 生成 2-溴-1-(吡啶-2-基)丙烷-1-酮
  参考文献：
  名称：

  A Self-Associating ADADA Hydrogen-Bonded Double Helix

  摘要：

  We report the design, synthesis, and characterization of an oligomer which incorporates a non-coplanar ADADA (hydrogen bond donor/acceptor) array within its structure. The molecule associates through self-complementary hydrogen bonding to form a dimeric double-helical complex.

  DOI：

  10.1021/ol071171c

文献信息

• Enantioselective and Diastereoselective Construction of Chiral Amino Alcohols by Iridium–f-Amphox-Catalyzed Asymmetric Hydrogenation via Dynamic Kinetic Resolution
  作者：Weilong Wu、Cai You、Congcong Yin、Yuanhua Liu、Xiu-Qin Dong、Xumu Zhang

  DOI：10.1021/acs.orglett.7b00844

  日期：2017.5.19

  The iridium–f-amphox-catalyzed asymmetric hydrogenation of racemic α-amino β-unfunctionalized ketones proceeds via a DKR (dynamic kinetic resolution) process for the construction of various chiral N,N-disubstituted α-amino β-unfunctionalized alcohols in quantitative yields with excellent enantioselectivities and diastereoselectivities (all products >99% ee and >99:1 dr, TON up to 100 000). Importantly

  外消旋α-氨基β-非官能化酮的铱-f-amphox催化的不对称氢化通过DKR（动态动力学拆分）过程进行，以定量产率构建各种手性N，N-二取代的α-氨基β-非官能化醇具有出色的对映选择性和非对映选择性（所有产品> 99％ee和> 99：1 dr，TON高达100000）。重要的是，这种采用DKR方法的催化不对称氢化为制备临床前抗肿瘤剂（S，S）-R116010的关键手性中间体提供了高效且强大的合成策略。
• Alkyl sulfonamide derivatives
  申请人：Jubian Vrej

  公开号：US20060293341A1

  公开（公告）日：2006-12-28

  This invention is directed to alkyl sulfonamide derivatives which are ligands at the NPY Y5 receptor. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a pharmaceutical composition made by admixing a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of a compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of treating a subject suffering from depression which comprises administering to the subject an amount of a compound of the subject invention. This invention also provides a method of treating a subject suffering from anxiety which comprises administering to the subject an amount of a compound of the subject invention. This invention also provides a method of treating a subject suffering from obesity which comprises administering to the subject an amount of a compound of the subject invention.

  这项发明涉及烷基磺胺基衍生物，其为NPY Y5受体的配体。该发明提供了一种包含该发明化合物的治疗有效量和药学上可接受的载体的药物组合物。该发明还提供了一种通过混合该发明化合物的治疗有效量和药学上可接受的载体制备的药物组合物。该发明还提供了一种制备药物组合物的方法，包括结合该发明化合物的治疗有效量和药学上可接受的载体。该发明还提供了一种治疗患有抑郁症的受试者的方法，包括向受试者施用该发明化合物的量。该发明还提供了一种治疗患有焦虑症的受试者的方法，包括向受试者施用该发明化合物的量。该发明还提供了一种治疗患有肥胖症的受试者的方法，包括向受试者施用该发明化合物的量。
• 一种氨基噻唑化合物及其制备方法和应用
  申请人：中山大学肿瘤防治中心

  公开号：CN105524056A

  公开（公告）日：2016-04-27

  本发明公开了一种氨基噻唑类化合物及其制备方法和应用。其结构式如下所示：式中，n、m、x均为0或1，且三者中只有一个为1或三者同时为0；R1为氢、2-吡啶基、3-吡啶基、4-吡啶基、苯基、2-吡嗪基、2-呋喃基、2-噻吩基、2-吡咯基、2-喹啉基、2-亚甲基吡啶；R2为氢或1-10个脂肪碳链的烷烃；R3或R4为氢或；R5为氢、、N，N-二乙基、N，N-二丙基、甲基、乙基、丙基、丁基、三氟甲基、甲氧基和氰基；且R3、R4和R5三者中两个同时为氢；其中，R6与R7可以相同或者不同，为H或1-10个脂肪碳链的烷烃、烯烃或炔烃。该类化合物可在动物体内抑制胰腺癌、结肠癌等KRAS高突变型肿瘤的增殖和生长。
• Polycyclic thiazoles as potassium ion channel modulators
  申请人：Wang Xiaodong

  公开号：US20050227989A1

  公开（公告）日：2005-10-13

  The present invention provides a genus of polycyclic thiazoles that are useful as modulators of potassium ion channels. The modulators of the invention are of use in both therapeutic and diagnostic methods.

  本发明提供了一类多环硫唑，它们可用作钾离子通道的调节剂。本发明的调节剂可用于治疗和诊断方法。
• [EN] HETEROCYCLIC COMPOUNDS AND THEIR USE FOR TREATMENT OF HELMINTHIC INFECTIONS AND DISEASES<br/>[FR] COMPOSÉS HÉTÉROCYCLIQUES ET LEUR UTILISATION POUR LE TRAITEMENT DE MALADIES ET INFECTIONS HELMINTHIQUES
  申请人：CELGENE CORP

  公开号：WO2022087326A1

  公开（公告）日：2022-04-28

  Provided herein are Heterocyclic Compounds of formula (I), formula (II), formula (III), formula (IlIa), formula (Mb), formula (IIIc), formula (Hid), formula (IV), formula (IVa), formula (IVb), and formula (IVc), and pharmaceutically acceptable salts, tautomers, isotopologues, and stereoisomers thereof, compositions comprising an effective amount of a Heterocyclic Compound of formula (I), formula (II), formula (III), formula (IlIa), formula (Mb), formula (IIIc), formula (Hid), formula (IV), formula (IVa), formula (IVb), and formula (IVc), and methods for treating or preventing animal and human filarial worm infections and diseases.

  本文提供了公式(I)、公式(II)、公式(III)、公式(IIIa)、公式(Mb)、公式(IIIc)、公式(Hid)、公式(IV)、公式(IVa)、公式(IVb)和公式(IVc)的杂环化合物，以及其药学上可接受的盐、互变异构体、同位素拓扑异构体和立体异构体，包含有效量的公式(I)、公式(II)、公式(III)、公式(IIIa)、公式(Mb)、公式(IIIc)、公式(Hid)、公式(IV)、公式(IVa)、公式(IVb)和公式(IVc)的杂环化合物的组合物，以及用于治疗或预防动物和人类丝虫感染和疾病的方法。