3,4-difluorophenyl acetate | 199586-66-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚酯
• 英文名称: 3,4-difluorophenyl acetate
• 英文别名: (3,4-difluorophenyl) acetate
• CAS: 199586-66-8
• 化学式: C₈H₆F₂O₂
• mdl: MFCD25960706
• 分子量: 172.131
• InChiKey: SCDFAHSIYYBVTF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  3,4-difluorophenyl acetate 在 三氯化铝 、 sodium ethanolate 、 1-羟基苯并三唑 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 三乙胺 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 52.0h， 生成 6,7-difluoro-4-oxo-N-piperidin-4-yl-4H-chromene-2-carboxamide
  参考文献：
  名称：

  Optimization of Chromone-2-carboxamide Melanin Concentrating Hormone Receptor 1 Antagonists:  Assessment of Potency, Efficacy, and Cardiovascular Safety

  摘要：

  Evaluation of multiple structurally distinct series of melanin concentrating hormone receptor 1 antagonists in an anesthetized rat cardiovascualar assay led to the identification of a chromone-2-carboxamide series as having excellent safety against the chosen cardiovascular endpoints at high drug concentrations in the plasma and brain. Optimization of this series led to considerable improvements in affinity, functional potency, and pharmacokinetic profile. This led to the identification of a 7-fluorochromone-2-carboxamide (22) that was orally efficacious in a diet-induced obese mouse model, retained a favorable cardiovascular profile in rat, and demonstrated dramatic improvement in effects on mean arterial pressure in our dog cardiovascular model compared to other series reported by our group. However, this analogue also led to prolongation of the QT interval in the dog that was linked to affinity for hERG channel and unexpectedly potent functional blockade of this ion channel.

  DOI：

  10.1021/jm060683e
• 作为产物：
  描述：

  3,4-二氟苯酚 生成 3,4-difluorophenyl acetate
  参考文献：
  名称：

  Medicaments for viral diseases

  摘要：

  Chromanone衍生物是高活性抗病毒剂。与HBV聚合酶抑制剂、HBV DNA抑制剂或HBV核蛋白抑制剂和/或异噁唑类化合物的组合以及必要时的干扰素能够比先前披露的药物更好地抑制HBV病毒的复制。

  公开号：

  US20020082264A1

文献信息

• Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor
  申请人：Lynch K. John

  公开号：US20050209274A1

  公开（公告）日：2005-09-22

  The present invention is directed to compounds of formula (I), which antagonize of the effects of melanin-concentrating hormone (MCH) through the melanin concentrating hormone receptor which is useful for the prevention or treatment of eating disorders, weight gain, obesity, abnormalities in reproduction and sexual behavior, thyroid hormone secretion, diuresis and water/electrolyte homeostasis, sensory processing, memory, sleeping, arousal, anxiety, depression, seizures, neurodegeneration and psychiatric disorders.

  本发明涉及式(I)的化合物，通过对抗黑素浓集激素（MCH）的作用，通过对抗黑素浓集激素受体，有助于预防或治疗进食障碍、体重增加、肥胖、生殖和性行为异常、甲状腺激素分泌、利尿和水/电解质稳态、感觉处理、记忆、睡眠、觉醒、焦虑、抑郁、癫痫、神经退行性疾病和精神障碍。
• [EN] MODULATORS OF STIMULATOR OF INTERFERON GENES (STING)<br/>[FR] MODULATEURS DU STIMULATEUR DES GÈNES DE L'INTERFÉRON (SING)
  申请人：RYVU THERAPEUTICS S A

  公开号：WO2019238786A1

  公开（公告）日：2019-12-19

  The present invention relates to compounds of formula (I) and salts, stereoisomers, tautomers or N-oxides thereof that are useful as modulators of STING (Stimulator of Interferon Genes). The present invention further relates to the compounds of formula (I) for use as a medicament and to a pharmaceutical composition comprising said compounds.

  本发明涉及式(I)化合物及其作为STING（干扰素基因刺激剂）调节剂的盐、立体异构体、互变异构体或N-氧化物。本发明进一步涉及式(I)化合物作为药物的应用以及包含该化合物的药物组合物。
• Sulfonamide-substituted chromans, processes for their preparation, their use as a medicament or diagnostic, and medicament comprising them
  申请人：Hoechst Aktiengesellschaft

  公开号：US06191164B1

  公开（公告）日：2001-02-20

  Sulfonamide-substituted chromans, processes for their preparation, their use as a medicament or a diagnostic, and medicament comprising them Chromans of the formula I and of the formula 1a having the meanings R(A), R(B), R(C) and R(1) to R(8) indicated in the claims are outstandingly suitable for preparing a medicament for blocking the K+ channel which is opened by cyclic adenosine monophosphate (cAMP); and further for preparing a medicament for inhibiting gastric acid secretion; for the treatment of ulcers of the stomach and of the intestinal region, in particular of the duodenum, for the treatment of reflux esophagitis, for the treatment of diarrheal illnesses, for the treatment and prevention of all types of arrhythmias including ventricular and supraventricular arrhythmias, and for the control of reentry arrhythmias and for the prevention of sudden heart death as a result of ventricular fibrillation.

  磺胺基取代的色苷，其制备方法，其用作药物或诊断的用途，以及包含它们的药物 具有下式I的色苷和下式1a的色苷，其中在权利要求中指示的R(A)、R(B)、R(C)和R(1)到R(8)的含义，非常适合制备用于阻断由环磷酸腺苷单磷酸（cAMP）打开的K+通道的药物；进一步用于制备用于抑制胃酸分泌的药物；用于治疗胃和肠道溃疡，特别是十二指肠的药物；用于治疗反流性食道炎；用于治疗腹泻疾病；用于治疗和预防包括室性和房性心律失常在内的所有类型心律失常；用于控制再入性心律失常和预防由室颤引起的突发心脏死亡。
• Structural Studies on Bioactive Compounds. 40. Synthesis and Biological Properties of Fluoro-, Methoxyl-, and Amino-Substituted 3-Phenyl-4<i>H</i>-1-benzopyran-4-ones and a Comparison of Their Antitumor Activities with the Activities of Related 2-Phenylbenzothiazoles
  作者：David A. Vasselin、Andrew D. Westwell、Charles S. Matthews、Tracey D. Bradshaw、Malcolm F. G. Stevens

  DOI：10.1021/jm060359j

  日期：2006.6.1

  been synthesized as potential antitumor agents based on structural similarities to known flavones and isoflavones (quercetin and genistein respectively) and antitumor 2-phenylbenzothiazoles. Target compounds were synthesized using palladium-catalyzed coupling methodologies to construct the central aryl carbon-carbon single bond. The new isoflavone derivatives were tested for in vitro activity in human

  基于与已知黄酮和异黄酮（分别为槲皮素和染料木黄酮）和抗肿瘤2-苯基苯并噻唑的结构相似性，已经合成了一系列新的氟，甲氧基和氨基取代的异黄酮作为潜在的抗肿瘤剂。使用钯催化的偶联方法合成目标化合物，以构建中心芳基碳-碳单键。测试了新的异黄酮衍生物在人乳腺癌（MDA-MB-468和MCF-7）和结肠癌（HT29和HCT-116）癌细胞系中的体外活性。在许多情况下，都获得了较低的微摩尔GI50值，其中MDA-MB-468细胞系总体上最敏感。值得注意的是，生长抑制活性显着增强（GI50 <1 microM，持续12d，12f，12h，12k，12l，
• SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR
  申请人：Bonaventure Pascal

  公开号：US20070100141A1

  公开（公告）日：2007-05-03

  The invention provides novel non-peptidic NPY Y2 receptor inhibitors useful in treating or preventing: anxiolytic disorders or depression; injured mammalian nerve tissue; conditions responsive to treatment through administration of a neurotrophic factor; neurological disorders; bone loss; substance related disorders; sleep/wake disorders; cardiovascular disease; obesity; or an obesity-related disorder. Compounds of the invention are also useful in modulating endocrine functions, particularly endocrine functions controlled by the pituitary and hypothalamic glands, and are therefore useful in the treatment or prevention of inovulation and infertility.

  这项发明提供了新型的非肽类NPY Y2受体抑制剂，可用于治疗或预防：抗焦虑障碍或抑郁症；受损的哺乳动物神经组织；通过给予神经营养因子进行治疗的疾病；神经系统疾病；骨质流失；与物质相关的障碍；睡眠/清醒障碍；心血管疾病；肥胖症；或与肥胖相关的疾病。该发明的化合物还可用于调节内分泌功能，特别是垂体和下丘脑腺控制的内分泌功能，并因此可用于治疗或预防排卵障碍和不孕症。