methyl 6-(4-(1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)-2,6-difluorophenyl)-5-fluoropicolinate | 1395283-91-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: methyl 6-(4-(1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)-2,6-difluorophenyl)-5-fluoropicolinate
• 英文别名: methyl 6-[2,6-difluoro-4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]phenyl]-5-fluoropyridine-2-carboxylate
• CAS: 1395283-91-6
• 化学式: C₂₁H₂₂F₃NO₄
• 分子量: 409.405
• InChiKey: CPEJXNOHKPYWLD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.5
• 氢给体数：
  0
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  6-溴-5-氟-2-吡啶甲酸 在 硫酸 作用下， 以 甲醇 为溶剂， 生成 methyl 6-(4-(1-(tert-butoxy)-2-methyl-1-oxopropan-2-yl)-2,6-difluorophenyl)-5-fluoropicolinate
  参考文献：
  名称：

  NOVEL KINASE INHIBITORS

  摘要：

  本发明提供了如下式的化合物： 以及本文进一步描述的相关化合物，以及包含这些化合物的药物组合物。该发明还提供了使用这些化合物和组合物治疗与Pim激酶活性不良水平相关的疾病的方法，包括癌症和自身免疫性疾病。

  公开号：

  US20120225062A1

文献信息

• TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS
  申请人：Burger Matthew

  公开号：US20120225061A1

  公开（公告）日：2012-09-06

  The present invention provides a compound of formula (I): as further described herein, and pharmaceutically acceptable salts, enantiomers, rotamers, tautomers, or racemates thereof. Also provided are methods of treating a disease or condition mediated by PIM kinase using the compounds of Formula I, and pharmaceutical compositions comprising such compounds.

  本发明提供了一种公式(I)的化合物： 如本文所述，以及药用可接受的盐、对映异构体、旋转异构体、互变异构体或外消旋混合物。还提供了使用公式I的化合物治疗由PIM激酶介导的疾病或状况的方法，以及包含这些化合物的药物组合物。
• SQUARIC ACID DERIVATIVES AS INHIBITORS OF THE NICOTINAMIDE
  申请人：Christensen Mette Knak

  公开号：US20120225847A1

  公开（公告）日：2012-09-06

  The present application discloses novel squaric acid derivatives of the formula A: from —C(═O)—, —S(═O) 2 —, —C(═S)— and —P(═O)(R 5 )—; B: -, —O—, —NR 6 — and —C(═O)—NR 6 —; D: -, —O—, —CR 7 R 8 — and —NR 9 ; m=0-12; n=0-12; m+n=1-20; p=0-2; R 1 : heteroaryl, aryl; R 2 : H, C 1-12 -alkyl, C 3-12 -cycloalkyl, —[CH 2 CH 2 O] 1-10 —(C 1-6 -alkyl), C 1-12 -alkenyl, aryl, heterocyclyl, heteroaryl; R 3 : C 1-12 -alkyl, C 3-12 -cycloalkyl, —[CH 2 CH 2 O] 1-10 —(C 1-6 -alkyl), C 1-12 -alkenyl, aryl, heterocyclyl, heteroaryl; or R 2 and R 3 : N-containing heterocyclic/heteroaromatic ring; R 4 and R 4 *: H, C 1-12 -alkyl, C 1-12 -alkenyl; and pharmaceutically acceptable salts and prodrugs thereof, and their use in the treatment of diseases/conditions caused by an elevated level of NAMPRT (inflammatory and tissue repair disorders, particularly rheumatoid arthritis, inflammatory bowel disease, asthma and CPOD, osteoarthritis, osteoporosis and fibrotic diseases; dermatosis; autoimmune diseases including systemic lupus erythematosis, multiple sclerosis, psoriatic arthritis, ankylosing spondylitis, tissue and organ rejection, Alzheimer's disease, stroke, atherosclerosis, restenosis, diabetes, glomerulonephritis, cancer, cachexia, inflammation associated with infection and viral infections, adult respiratory distress syndrome, ataxia telengiectasia).

  本申请公开了公式A的新型苯二甲酸衍生物：从—C（═O）—，—S（═O）2—，—C（═S）—和—P（═O）（R5）—；B：-，—O—，—NR6—和—C（═O）—NR6—；D：-，—O—，—CR7R8—和—NR9；m=0-12；n=0-12；m+n=1-20；p=0-2；R1：杂环芳基，芳基；R2：H，C1-12-烷基，C3-12-环烷基，—[CH2CH2O]1-10—（C1-6-烷基），C1-12-烯基，芳基，杂环烷基，杂环芳基；R3：C1-12-烷基，C3-12-环烷基，—[CH2CH2O]1-10—（C1-6-烷基），C1-12-烯基，芳基，杂环烷基，杂环芳基；或R2和R3：含氮杂环/杂芳基环；R4和R4*：H，C1-12-烷基，C1-12-烯基；以及其药学上可接受的盐和前药，以及它们在治疗由NAMPRT水平升高引起的疾病/状况中的用途（炎症和组织修复障碍，特别是类风湿性关节炎，炎症性肠病，哮喘和CPOD，骨关节炎，骨质疏松症和纤维性疾病；皮肤病；自身免疫性疾病，包括系统性红斑狼疮，多发性硬化症，银屑病性关节炎，强直性脊柱炎，组织和器官排斥，阿尔茨海默病，中风，动脉粥样硬化，再狭窄，糖尿病，肾小球肾炎，癌症，消瘦症，与感染和病毒感染相关的炎症，成人呼吸窘迫综合征，遗传性毛细血管扩张性共济失调）。
• US9006426B2
  申请人：——

  公开号：US9006426B2

  公开（公告）日：2015-04-14
• [EN] TETRASUBSTITUTED CYCLOHEXYL COMPOUNDS AS KINASE INHIBITORS<br/>[FR] COMPOSÉS DE CYCLOHEXYLE TÉTRASUBSTITUÉS À TITRE D'INHIBITEURS DE KINASES
  申请人：NOVARTIS AG

  公开号：WO2012120415A1

  公开（公告）日：2012-09-13

  The present invention provides a compound of formula (I) as further described herein, and pharmaceutically acceptable salts, enantiomers, rotamers, tautomers, or racemates thereof. Also provided are methods of treating a disease or condition mediated by PIM kinase using the compounds of Formula I, and pharmaceutical compositions comprising such compounds.
• [EN] NOVEL KINASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE KINASE
  申请人：NOVARTIS AG

  公开号：WO2012120428A1

  公开（公告）日：2012-09-13

  The present invention provides compounds of Formula I: (I) and related compounds as further described herein, and pharmaceutical compositions comprising these compounds. The invention further provides methods to use these compounds and compositions for treating disorders associated with undesired levels of Pirn kinase activity, including cancers and autoimmune disorders.