4-(2-Oxopropyl)benzamide | 80051-15-6

• 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: 4-(2-Oxopropyl)benzamide
• CAS: 80051-15-6
• 化学式: C₁₀H₁₁NO₂
• 分子量: 177.2
• InChiKey: OMHPHQAAGODOAB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.4
• 重原子数：
  13
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  60.2
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• PYRROLIDINYL SULFONE RORGAMMA MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：US20150191483A1

  公开（公告）日：2015-07-09

  Described are RORγ modulators of the formula (I), or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.

  描述了公式（I）的RORγ调节剂，或其立体异构体、互变异构体、药物可接受的盐、溶剂化物或前药，其中所有取代基都在此定义。还提供了包含相同成分的药物组合物。这类化合物和组合物在调节细胞中RORγ活性的方法和治疗受疾病或紊乱困扰的主体中是有用的，例如，主体将从调节RORγ活性中获益的自免疫和/或炎症紊乱。
• Processes for producing optically active 2-amino-1-phenylethanol derivatives
  申请人：Daicel Chemical Industries, Ltd.

  公开号：US20030143701A1

  公开（公告）日：2003-07-31

  An (R)-2-amino-1-phenylethanol derivative shown by the general formula (IIa) 1 wherein R 1 and R 5 represent a hydrogen atom, etc.; R 2 , R 3 and R 4 independently represent a halogen atom, etc., or a salt thereof, can readily be produced (1) by permitting a microorganism belonging to the genus Rhodosporidium, the genus Comamonas or the like to act on a mixture of corresponding (R)-form and (S)-form to asymmetrically utilize, or (2) by permitting a microorganism belonging to the genus Lodderomyces, the genus Pilimelia or the like to act on a corresponding aminoketone derivative to asymmetrically reduce. An (R,R)-1-phenyl-2-[(2-phenyl-1-alkylethyl)amino]ethanol derivative having a high optical purity can easily be obtained from the compound of the formula (IIa) or a salt thereof. Said derivative is useful as an intermediate for producing an anti-obesity agent and so on.

  通式（IIa）所示的（R）-2-氨基-1-苯乙醇衍生物，其中R1和R5代表氢原子等；R2、R3和R4分别独立地表示卤素原子等，或其盐，可以通过（1）让属于红孢霉属、普通小杆菌属或类似菌属的微生物作用于相应（R）-型和（S）-型的混合物以不对称利用，或（2）让属于洛德罗霉属、皮利米利亚属或类似菌属的微生物作用于相应的氨基酮衍生物以不对称还原而轻松制备。可以从式（IIa）化合物或其盐中轻松获得具有高光学纯度的（R，R）-1-苯基-2-［（2-苯基-1-烷基乙基）氨基］乙醇衍生物。所述衍生物可用作生产抗肥胖剂等中间体。
• USEFUL COMBINATIONS OF MONOBACTAM ANTIBIOTICS WITH BETA-LACTAMASE INHIBITORS
  申请人：Basilea Pharmaceutica AG

  公开号：US20160122320A1

  公开（公告）日：2016-05-05

  A pharmaceutical composition, comprising a combination of an antibiotically active compound of the formula (I): with a β-lactamase inhibitor of one of the formulae (II) to (XIII) are active against Gram-negative bacteria, in particular such bacteria which have become resistant against antibiotics such as aztreonam, carumonam and tigemonam. Optionally the compositions may comprise another β-lactamase inhibitor of one of the formulae (II) to (XIII), particularly of formula (V) or formula (VI).

  一种药物组合物，包括公式（I）的抗生素活性化合物与公式（II）至（XIII）中的β-内酰胺酶抑制剂的组合物，对革兰氏阴性菌具有活性，特别是对已经对阿奇霉素、卡鲁莫纳和替莫纳等抗生素产生耐药性的细菌有效。可选地，该组合物还可以包括另一种公式（II）至（XIII）中的β-内酰胺酶抑制剂，特别是公式（V）或公式（VI）的β-内酰胺酶抑制剂。
• PYRROLIDINYL SULFONE DERIVATIVES AND THEIR USE AS ROR GAMMA MODULATORS
  申请人：Bristol-Myers Squibb Company

  公开号：EP3092229B1

  公开（公告）日：2018-03-28
• HETEROCYCLIC SULFONE ROR GAMMA MODULATORS
  申请人：BRISTOL-MYERS SQUIBB COMPANY

  公开号：US20160326115A1

  公开（公告）日：2016-11-10

  Described are RORγ modulators of the formula (I), [INSERT CHEMICAL STRUCTURE HERE] or stereoisomers, tautomers, pharmaceutically acceptable salts, solvates, or prodrugs thereof, wherein all substituents are defined herein. Also provided are pharmaceutical compositions comprising the same. Such compounds and compositions are useful in methods for modulating RORγ activity in a cell and methods for treating a subject suffering from a disease or disorder in which the subject would therapeutically benefit from modulation of RORγ activity, for example, autoimmune and/or inflammatory disorders.