3-溴-2,4,6-三氟-苯胺 | 762297-95-0

• 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: 3-溴-2,4,6-三氟-苯胺
• 英文名称: 3-bromo-2,4,6-trifluoroaniline
• 英文别名: Benzenamine, 3-bromo-2,4,6-trifluoro-
• CAS: 762297-95-0
• 化学式: C₆H₃BrF₃N
• 分子量: 225.996
• InChiKey: MTFDNVGNGPISNO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  26
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3-溴-2,4,6-三氟-苯胺 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 palladium on activated charcoal 盐酸 、 氢气 、 potassium carbonate 、 三乙胺 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 甲醇 、 乙酸乙酯 、 N,N-二甲基甲酰胺 为溶剂， 20.0~80.0 ℃ 、1.38 MPa 条件下， 反应 3.0h， 生成 2-methyl-N-[2,4,6-trifluoro-3-(4-piperidinyl)phenyl]propanamide
  参考文献：
  名称：

  Synthesis and SAR Investigations for Novel Melanin-Concentrating Hormone 1 Receptor (MCH₁) Antagonists Part 1. The Discovery of Arylacetamides as Viable Replacements for the Dihydropyrimidinone Moiety of an HTS Hit

  摘要：

  Melanin-concentrating hormone (MCH) is involved in the regulation of feeding, water balance, energy metabolism, general arousal and attention state, memory, cognitive functions, and psychiatric disorders. Herein, two new chemical series exemplified by N-[5-(1-{3-[2,2-bis-(4-fluoro-phenyl)-acetylamino]-propyl}-piperidin-4-yl)-2,4-difluoro-phenyl]-isobutyramide (SNAP 102739, 5m) and N-[3-(l-{3-[(S)-2-(4-fluorophenyl)-propionylamino]-propyl}-piperidin-4-yl)-4-methylphenyl]-isobutyramide ((S)-6b) are reported. These compounds were designed to improve the pharmacokinetic properties of the high-throughput screening lead compound 1 (SNAP 7941). The MCH, receptor antagonists 5m and (S)-6b show reasonable pharmacokinetic profiles (rat bioavailability = 48 and 81%, respectively). Compounds 5m and (S)-6b demonstrated the inhibition of a centrally administered MCH-evoked drinking effect, and compound 5m exhibited oral in vivo efficacy in the rat social interaction model of anxiety, with a minimum effective dose = 0.3 mg/kg.

  DOI：

  10.1021/jm060381c
• 作为产物：
  描述：

  2-bromo-1,3,5-trifluoro-4-nitrobenzene 在 铁粉 、 氯化铵 作用下， 以 乙醇 、 水 为溶剂， 以83 %的产率得到3-溴-2,4,6-三氟-苯胺
  参考文献：
  名称：

  宫颈癌PI3K/Akt信号通路抑制剂5-氟吲哚衍生物的设计、合成及分子对接

  摘要：

  PI3K/Akt 信号通路促进多种细胞过程，抑制 PI3K/Akt 信号通路可有效减少癌细胞中的肿瘤生长。 AD412 是一种吲哚衍生物，是一种有效的免疫抑制剂，据报道还通过显着抑制 PI3K/Akt 信号通路作为抗癌剂。在当前的工作中，我们通过对AD412进行特定的结构修饰，设计并合成了两个不同的先导系列5-氟吲哚衍生物（6a-l和11a-l）。总共评估了 24 种新衍生物对两种宫颈癌细胞系（HeLa 和 SiHa）和一种正常细胞系（HEK 293）的抗增殖活性。其中，6e对HeLa和SiHa细胞表现出优异的抗增殖活性，IC50值分别为9.366和8.475 µM，并表现出较低的毒性。此外，6e通过影响DNA的合成，以剂量依赖的方式抑制HeLa细胞的迁移和侵袭。此外，Western blot分析显示6e可以通过下调Hela细胞中PI3K-p85和Akt磷酸化来抑制宫颈癌进展。体外机制研究

  DOI：

  10.1016/j.molstruc.2024.138569

文献信息

• Substituted alkyl amido piperidines
  申请人：Synaptic Pharmaceutical Corporation

  公开号：US20040186103A1

  公开（公告）日：2004-09-23

  This invention is directed to compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of reducing the body mass of a subject which comprises administering to the subject an amount of a compound of the invention effective to reduce the body mass of the subject. This invention further provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject's depression and/or anxiety.

  这项发明涉及选择性拮抗黑色素浓缩激素-1（MCH1）受体的化合物。该发明提供了一种包括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。该发明提供了一种由结合本发明化合物的治疗有效量和药学上可接受的载体制成的药物组合物。该发明还提供了一种制备药物组合物的方法，包括结合本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减少受试者体重的方法，包括向受试者施用本发明化合物的有效量以减少受试者的体重。该发明还提供了一种治疗患有抑郁症和/或焦虑症的受试者的方法，包括向受试者施用本发明化合物的有效量以治疗受试者的抑郁症和/或焦虑症。
• 4-Aryl piperidines
  申请人：Marzabadi R. Mohammad

  公开号：US20050154020A1

  公开（公告）日：2005-07-14

  This invention is directed to 4-aryl piperidines and related heterocyclic compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of reducing the body mass of a subject which comprises administering to the subject an amount of a compound of the invention effective to reduce the body mass of the subject. This invention further provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject's depression and/or anxiety.

  本发明涉及4-芳基哌啶及其相关杂环化合物，这些化合物是对黑素集中激素-1（MCH1）受体的选择性拮抗剂。本发明提供了一种药物组合物，包括治疗有效量的本发明化合物和药用可接受的载体。本发明还提供了一种通过结合治疗有效量的本发明化合物和药用可接受的载体而制成的药物组合物。本发明进一步提供了一种制备药物组合物的方法，包括结合治疗有效量的本发明化合物和药用可接受的载体。本发明还提供了一种减少主体体质量的方法，包括向主体施用有效减少主体体质量的本发明化合物的量。本发明还进一步提供了一种治疗患有抑郁和/或焦虑的主体的方法，包括向主体施用有效治疗主体的抑郁和/或焦虑的本发明化合物的量。
• 4-aryl piperidines
  申请人：Marzabadi R. Mohammad

  公开号：US20050154022A1

  公开（公告）日：2005-07-14

  This invention is directed to 4-aryl piperidines and related heterocyclic compounds which are selective antagonists for melanin concentrating hormone-1 (MCH1) receptors. The invention provides a pharmaceutical composition comprising a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention provides a pharmaceutical composition made by combining a therapeutically effective amount of the compound of this invention and a pharmaceutically acceptable carrier. This invention further provides a process for making a pharmaceutical composition comprising combining a therapeutically effective amount of the compound of the invention and a pharmaceutically acceptable carrier. This invention also provides a method of reducing the body mass of a subject which comprises administering to the subject an amount of a compound of the invention effective to reduce the body mass of the subject. This invention further provides a method of treating a subject suffering from depression and/or anxiety which comprises administering to the subject an amount of a compound of the invention effective to treat the subject's depression and/or anxiety.

  本发明涉及4-芳基哌啶及其相关杂环化合物，这些化合物是黑素聚集激素-1（MCH1）受体的选择性拮抗剂。本发明提供了一种药物组合物，包括治疗有效量的本发明的化合物和药用可接受的载体。本发明还提供了一种通过结合治疗有效量的本发明的化合物和药用可接受的载体来制造的药物组合物。本发明进一步提供了一种制造药物组合物的方法，包括结合治疗有效量的本发明的化合物和药用可接受的载体。本发明还提供了一种减少主体体质量的方法，包括向主体施用有效减少主体体质量的本发明的化合物的量。本发明进一步提供了一种治疗患有抑郁和/或焦虑的主体的方法，包括向主体施用有效治疗主体的抑郁和/或焦虑的本发明的化合物的量。
• [EN] HETEROARYL-SUBSTITUTED PYRAZOLO-PYRIDINE PROTEIN KINASE INHIBITORS FOR PROMOTING LIVER REGENERATION OR REDUCING OR PREVENTING HEPATOCYTE DEATH<br/>[FR] INHIBITEURS DE PROTÉINE KINASE DE PYRAZOLO-PYRIDINE SUBSTITUÉS PAR HÉTÉROARYLE POUR FAVORISER LA RÉGÉNÉRATION DU FOIE OU RÉDUIRE OU PRÉVENIR LA MORT DES HÉPATOCYTES
  申请人：HEPAREGENIX GMBH

  公开号：WO2021018820A1

  公开（公告）日：2021-02-04

  The invention relates to pyrazolo-pyridine compounds which inhibit mitogen-activated protein kinase kinase 4 (MKK4) and in particular, selectively inhibit MKK4 over protein kinases JNK1 and MKK7. The compounds are useful for promoting liver regeneration or reducing or preventing hepatocyte death. They are further useful for treating osteoarthritis or rheumatoid arthritis, or CNS-related diseases.

  该发明涉及抑制丝裂原活化蛋白激酶激酶4（MKK4）的吡唑吡啶化合物，特别是选择性地抑制MKK4而不抑制蛋白激酶JNK1和MKK7。这些化合物可用于促进肝再生或减少或预防肝细胞死亡。它们还可用于治疗骨关节炎或类风湿关节炎，或中枢神经系统相关疾病。
• [EN] ISOTOPOLOGUES OF 4-[9-(TETRAHYDRO-FURAN-3-YL)-8-(2, 4, 6- TRIFLUORO-PHENYLAMINO)-9H-PURIN-2-YLAMINO]-CYCLOHEXAN-1-OL<br/>[FR] ISOTOPOLOGUES DU 4-[9-(TÉTRAHYDROFURAN-3-YL)-8-(2,4,6-TRIFLUOROPHÉNYLAMINO)-9H-PURIN-2-YLAMINO]CYCLOHEXAN-1-OL
  申请人：SIGNAL PHARM LLC

  公开号：WO2011071491A1

  公开（公告）日：2011-06-16

  Provided herein are isotopologues of Compound 1, which are enriched with isotopes such as, for example, deuterium. Pharmaceutical compositions comprising the isotope-enriched compounds, and methods of using such compounds are also provided.

  本文提供了化合物1的同位素衍生物，其中富集有同位素，例如氘。还提供了包含同位素富集化合物的药物组合物，以及使用这些化合物的方法。