2-bromo-1-(3-pyridinyl)-1-propanone hydrobromide | 56541-25-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2-bromo-1-(3-pyridinyl)-1-propanone hydrobromide
• 英文别名: 2-Bromo-1-pyridin-3-ylpropan-1-one;hydrobromide
• CAS: 56541-25-4
• 化学式: BrH*C₈H₈BrNO
• 分子量: 294.974
• InChiKey: KPFGBTONTDVCSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.63
• 重原子数：
  12
• 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：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-bromo-1-(3-pyridinyl)-1-propanone hydrobromide 、 3-(三氟甲基)苯(基)硫脲 以 乙醇 为溶剂， 生成
  参考文献：
  名称：

  2-ANILINE-4-ARYL SUBSTITUTED THIAZOLE DERIVATIVES

  摘要：

  这项发明涉及使用式(I)中的化合物，其中N-氧化物是药用可接受的加合盐，季铵基和其立体化异构形式，其中Z为氢、卤素、C1-6烷基、Het1、HO—C1-6烷基、氰基-C1-6烷基、氨基-C(═O)—C1-6烷基、甲酰氨基-C1-6烷基、C1-6烷基-C(═O)—NH—C1-6烷基、单烷基或二烷基胺基-C(═O)—C1-6烷基、苯基-C1-6烷基或Het4-C1-6烷基；Q为苯基、吡啶基、苯并呋喃基、2,3-二氢苯并呋喃基、吡唑基、异噁唑基或吲唑基，其中每个环系统可选地被取代，每个取代基可独立地选择自卤素、氰基、C1-6烷基、C1-6烷基-O—、C1-6烷基硫醚、Ar或多卤代C1-6烷基；L为苯基、吡啶基、嘧啶嗪基、8-吡啉嗪基、吡啶嗪基、咪唑噻唑基或呋喃基，其中每个环系统可选地被取代，每个取代基可独立地选择自卤素、羟基、氨基、氰基、C1-6烷基或C1-6烷基-O—；Het1代表吗啉基；吡唑基或咪唑基；Het4代表吗啉基、吡唑基或咪唑基；Ar代表苯基，可选地被卤素、C1-6烷基、C1-6烷基-O—或多卤代C1-6烷基取代；用于制备一种用于预防或治疗或预防精神障碍、智力障碍或调节α7尼古丁受体有益的疾病或情况的药物。

  公开号：

  US20110269748A1

文献信息

• 2-amino-4,5-trisubstituted thiazolyl derivatives
  申请人：——

  公开号：US20040254191A1

  公开（公告）日：2004-12-16

  This invention concerns the use of a compound of formula (I′), a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein Z is halo; C 1-6 alkyl; C 1-6 alkylcarbonyl; C 1-6 alkyloxy-carbonyl; aminocarbonyl; C 1-6 alkyl substituted with hydroxy, carboxyl, cyano, amino, amino substituted with piperidinyl, amino substituted with C 1-4 alkyl substituted piperidinyl, mono -or di(C 1-6 alkyl)amino, aminocarbonyl, mono -or di(C 1-6 alkyl)aminocarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkyloxy, piperidinyl, piperazinyl, morpholinyl, thiomorpholinyl; polyhaloC 1-4 alkyl; cyano; amino; mono -or di(C 1-6 alkyl)aminocarbonyl; C 1-6 kyloxycarbonyl; C 1-6 alkylcarbonyloxy; aminoS(═O) 2 —; mono -or di(C 1-6 alkyl)aminoS(═O) 2 ; —C(═N—R x )NR y R z ; Q is optionally substituted C 3-6 cycloalkyl, phenyl, pyridyl, pyrimidinyl, pyrazinyl, pyridazinyl, benzthiazolyl, benzoxazolyl, benzimidazolyl, indazolyl, or imidazopyridyl, or Q is a radical of formula (b-1), (b-2), or (b-3), L is optionally substituted phenyl or an optionally substituted monocyclic 5 or 6-membered partially saturated or aromatic heterocycle or a bicyclic partially saturated or aromatic heterocycle; aryl is optionally substituted phenyl; for the manufacture of a medicament for the prevention or the treatment of inflammatory and/or auto-immune diseases mediated through TNF-&agr; and/or IL-12. 1

  本发明涉及式(I′)化合物、N-氧化物、药学上可接受的加成盐、季胺及其立体化学异构体形式的用途，其中 Z 是卤代物； C 1-6 烷基 1-6 烷基羰基 1-6 烷氧羰基; 氨基羰基; C 1-6 被羟基、羧基、氰基、氨基取代的烷基，被哌啶基取代的氨基，被 C 1-4 烷基取代的哌啶基，单-或双（C 1-6 烷基）氨基、氨基羰基、单或双（C 1-6 1-6 烷基）氨基羰基、C 1-6 烷氧羰基、C 1-6 烷氧基、哌啶基、哌嗪基、吗啉基、硫代吗啉基；多卤代 C 1-4 烷基；氰基；氨基；单或双（C 1-6 烷基）氨基羰基；C 1-6 羰基 1-6 烷基羰氧基；氨基S(═O) 2 -；单-或双(C 1-6 烷基）氨基S(═O) 2 ;-C(═N-R x ）NR y R z ; Q 是任选取代的 C 3-6 环烷基、苯基、吡啶基、嘧啶基、吡嗪基、哒嗪基、苯并噻唑基、苯并恶唑基、苯并咪唑基、吲哚唑基或咪唑吡啶基，或 Q 是式 (b-1)、(b-2) 或 (b-3) 的基团，L 是任选取代的苯基或任选取代的单环 5 或 6 元部分饱和或芳香杂环或双环部分饱和或芳香杂环；芳基是任选取代的苯基；用于制造预防或治疗通过 TNF-&agr；和/或 IL-12 介导的炎症和/或自身免疫性疾病的药物。 1
• 2-AMINO-4, 5-TRISUBSTITUTED THIAzOLYL DERIVATIVES AND THEIR USE AGAINST AUTOIMMUNE DISEASES
  申请人：Janssen Pharmaceutica NV

  公开号：EP1418909B1

  公开（公告）日：2013-02-20
• 2-AMINO-4, 5-TRISUBSTITUTED THIAOLYL DERIVATIVES AND THEIR USE AGAINST AUTOIMMUNE DISEASES
  申请人：JANSSEN PHARMACEUTICA N.V.

  公开号：EP1418909A2

  公开（公告）日：2004-05-19
• 2-Amino-4,5-Trisubstituted Thiazolyl Derivatives
  申请人：Love John Christopher

  公开号：US20070203189A1

  公开（公告）日：2007-08-30

  This invention concerns the use of a compound of formula (I′) a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein Z is halo; C 1-6 alkyl; C 1-6 alkylcarbonyl; C 1-6 alkyloxycarbonyl; aminocarbonyl; C 1-6 alkyl substituted with hydroxy, carboxyl, cyano, amino, amino substituted with piperidinyl, amino substituted with C 1-4 alkyl substituted piperidinyl, mono- or di(C 1-6 alkyl)amino, aminocarbonyl, mono- or di(C 1-6 alkyl)aminocarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkyloxy, piperidinyl, piperazinyl, morpholinyl, thiomorpholinyl; polyhaloC 1-4 alkyl; cyano; amino; mono- or di(C 1-6 alkyl)aminocarbonyl; C 1-6 alkyloxycarbonyl; C 1-6 alkylcarbonyloxy; aminoS(═O) 2 —; mono- or di(C 1-6 alkyl)aminoS(═O) 2 ; —C(═N—R x )NR y R z ; Q is optionally substituted C 3-6 cycloalkyl, phenyl, pyridyl, pyrimidinyl, pyrazinyl, pyridazinyl, benzthiazolyl, benzoxazolyl, benzimidazolyl, indazolyl, or imidazopyridyl, or Q is a radical of formula L is optionally substituted phenyl or an optionally substituted monocyclic 5 or 6-membered partially saturated or aromatic heterocycle or a bicyclic partially saturated or aromatic heterocycle; aryl is optionally substituted phenyl; for the manufacture of a medicament for the prevention or the treatment of inflammatory and/or auto-immune diseases mediated through TNF-α and/or IL-12.
• US7232838B2
  申请人：——

  公开号：US7232838B2

  公开（公告）日：2007-06-19