苯氯布宗 | 23111-34-4

• 物质功能分类: 原料药 - 解热镇痛药 - 非甾抗炎药
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 苯氯布宗
• 中文别名: 非克洛布松
• 英文名称: 4-butyl-4-(4-chloro-benzoyloxymethyl)-1,2-diphenyl-pyrazolidine-3,5-dione
• 英文别名: Feclobuzone；(4-butyl-3,5-dioxo-1,2-diphenylpyrazolidin-4-yl)methyl 4-chlorobenzoate
• CAS: 23111-34-4
• 化学式: C₂₇H₂₅ClN₂O₄
• 分子量: 476.959
• InChiKey: OZKQTMYKYQGCME-UHFFFAOYSA-N

物化性质

• 沸点：
  578.3±46.0 °C(Predicted)
• 密度：
  1.266±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.4
• 重原子数：
  34
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  66.9
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090

文献信息

• [EN] HYDROXYMORPHOLINESS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN<br/>[FR] HYDROXYMORPHOLINES ET LEUR UTILISATION POUR LE TRAITEMENT DE TROUBLES INFLAMMATOIRES ET DE LA DOULEUR
  申请人：BIOCOPEA LTD

  公开号：WO2010103312A1

  公开（公告）日：2010-09-16

  A compound useful for therapy of a pain or inflammatory condition, is of formula (I): wherein: R1 is aryl or heteroaryl and is optionally substituted with one or more groups selected from alkyl, CF3, OR6, OCOR6, CONH2, CN, Cl, Br, I, N(R6)2,NO2, NHCHO, NHCONH2, NHSO2R6, CON(R6)2, S(O)nR6, CH2OH and OCON(R6)2 wherein n is 0-2; R2 and R3 are each H, alkyl, cycloalkyl or CH2 OH, or CR2R3 forms a ring; R4 is H or alkyl; and R6 is H, alkyl or cycloalkyl; or a salt thereof.

  一种用于治疗疼痛或炎症状况的化合物，其化学式为(I)：其中：R1为芳基或杂环芳基，可选择地取代为来自烷基、CF3、OR6、OCOR6、CONH2、CN、Cl、Br、I、N(R6)2、NO2、NHCHO、NHCONH2、NHSO2R6、CON(R6)2、S(O)nR6、CH2OH和OCON(R6)2 的一个或多个基团，其中n为0-2；R2和R3分别为H、烷基、环烷基或CH2OH，或CR2R3形成环；R4为H或烷基；R6为H、烷基或环烷基；或其盐。
• Diagnostic/therapeutic agents
  申请人：Klaveness Jo

  公开号：US20050002865A1

  公开（公告）日：2005-01-06

  Targetable diagnostic and/or therapeutically active agents, e.g. ultrasound contrast agents, comprising a suspension in an aqueous carrier liquid of a reporter comprising gas-containing or gas-generating material, said agent being capable of forming at least two types of binding pairs with a target.

  可定位的诊断和/或治疗活性剂，例如超声对比剂，包括悬浮在水载体液中的报告物，该报告物包含含气体或生成气体的材料，该剂能够与目标形成至少两种结合对。
• Use of Bupropion Metabolites for the Treatment of Inflammatory Disorders
  申请人：Brew John

  公开号：US20090318562A1

  公开（公告）日：2009-12-24

  Compounds that may be used for the treatment or prevention of a condition associated with T-cell proliferation or that is mediated by pro-inflammatory cytokines are of formula (1) or a salt thereof.

  可能用于治疗或预防与T细胞增殖有关或由促炎症细胞因子介导的疾病的化合物为公式（1）或其盐。
• Use of Beta-Aminoalcohols for the Treatment of Inflammatory Disorders and Pain
  申请人：Baxter Andrew Douglas

  公开号：US20100016357A1

  公开（公告）日：2010-01-21

  Compounds that may be used for the treatment or prevention of a condition associated with T-cell proliferation or that is mediated by pro-inflammatory cytokines are of formula (I): wherein at least one of R1, R2 or R3 is not H and each is independently H, alkyl, CF 3 , CONH 2 , CN, halogen, NH 2 , NO 2 , NHCHO, NHCONH 2 , NHSO 2 alkyl, SOMe, SO 2 NH 2 , Salkyl, or CH 2 S0 2 alkyl; and R 4 is H or alkyl; or a salt thereof.

  可以用于治疗或预防与T细胞增殖有关或由促炎细胞因子介导的疾病的化合物的公式（I）：其中R1，R2或R3中至少一个不是H，且每个独立地是H，烷基，CF3，CONH2，CN，卤素，NH2，NO2，NHCHO，NHCONH2，NHSO2烷基，SOMe，SO2NH2，S烷基或CH2S02烷基; 而R4为H或烷基; 或其盐。
• Use of Beta-Aminoalcohols in the Treatment of Inflammatory Disorders and Pain
  申请人：Brew John

  公开号：US20090306216A1

  公开（公告）日：2009-12-10

  A compound for therapeutic use, of the formula (I), wherein R 1 is aryl or heteroaryl optionally substituted with R 5 ; R 2 is H, alkyl or CH 2 OH or forms part of a ring with R 4 ; R 3 is H, alkyl or CH 2 OH or forms part of a ring with R 4 ; R 4 is H, alkyl or (when forming part of a ring with R 2 or R 3 ) CH 2 ; and R 5 is alkyl, CF 3 , OH, Oalkyl, OCOalkyl, CONH 2 , CN, halogen, NH 2 , NO 2 , NHCHO, NHCONH 2 , NHSO 2 Me, CONH 2 , or SOMe; or a salt thereof.

  一种治疗用化合物，其化学式为（I），其中R1为芳基或杂环芳基，可选地被R5取代；R2为氢，烷基或 OH，或与R4一起形成环；R3为氢，烷基或 OH，或与R4一起形成环；R4为氢，烷基或（当与R2或R3一起形成环时）CH2；R5为烷基，CF3，OH，O烷基，OCO烷基，CONH2，CN，卤素，NH2，NO2，NHCHO，NHCONH2，NHSO2Me，CONH2或SOMe；或其盐。