2-甲酰基烟酸 | 23590-67-2

• 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
• 中文名称: 2-甲酰基烟酸
• 英文名称: 2-Formyl-nicotinsaeure
• 英文别名: 2-Formyl-3-carboxy-pyridin；2-formyl-nicotinic acid；2-Formylnicotinic acid；2-formylpyridine-3-carboxylic acid
• CAS: 23590-67-2
• 化学式: C₇H₅NO₃
• 分子量: 151.122
• InChiKey: XUEORIGYINRASB-UHFFFAOYSA-N

物化性质

• 熔点：
  200-202 °C(Solv: water (7732-18-5))
• 沸点：
  335.7±27.0 °C(Predicted)
• 密度：
  1.414±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  11
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  67.3
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 海关编码：
  2933399090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H315,H319,H335

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 2-甲酰基烟酸 生成 3-Acetoxy-4-aza-phthalid
  参考文献：
  名称：

  Rimek,H.-J., Justus Liebigs Annalen der Chemie, 1963, vol. 670, p. 69 - 74

  摘要：

  DOI：

文献信息

• [EN] SUBSTITUTED PORPHYRINS<br/>[FR] PORPHYRINES SUBSTITUÉES
  申请人：UNIV DUKE

  公开号：WO2010080881A1

  公开（公告）日：2010-07-15

  Discloses are compounds according to Formula I. Further provided are methods of reducing oxidative stress in a cell, methods of treating a disease including cancer, and methods of treating a subject with a disorder associated with oxidative stress, the methods including administering a compound according to the invention. Also disclosed are methods of potentiating a cancer cell for treatment with ionizing radiation or chemotherapeutics including contacting the cell with an effective amount of a compound according to the invention. Further discloses are pharmaceutical compositions comprising a pharmaceutically acceptable carrier and a compound according to the invention.

  根据公式I，揭示了一些化合物。此外，还提供了在细胞中减少氧化应激的方法，治疗包括癌症在内的疾病的方法，以及治疗与氧化应激相关的疾病的方法，这些方法包括给予根据本发明的化合物。还揭示了通过与根据本发明的化合物的有效量接触来增强癌细胞对电离辐射或化疗药物的治疗的方法。此外，还揭示了包括药用可接受载体和根据本发明的化合物的药物组合物的方法。
• [EN] CANCER THERAPEUTICS<br/>[FR] TRAITEMENTS ANTICANCÉREUX
  申请人：UNIV VIRGINIA PATENT FOUND

  公开号：WO2016025744A1

  公开（公告）日：2016-02-18

  This invention relates to compounds that bind to wild-type CBFβ and inhibit CBFβ binding to RUNX proteins. The potent compounds of the invention inhibit this protein-protein interaction at low micromolar concentrations, using allosteric mechanism to achieve inhibition, displace wild-type CBFβ from RUNX1 in cells, change occupancy of RUNX1 on target genes, and alter gene expression of RUNX1 target genes. These inhibitors show clear biological effects consistent with on-target RUNX protein activity. Pharmaceutical compositions containing a compound of the invention and a pharmaceutically acceptable carrier represent a separate embodiment of the invention. Another embodiment of the invention are methods of treating a RUNX-signaling-dependent cancer that expresses wild-type CBFβ in a subject in need thereof by administering to the subject a therapeutically effective amount of a compound of the invention. In one embodiment, the cancer is selected from the group consisting of a RUNX-signaling-dependent leukemia that expresses wild-type CBFβ, lung cancer, bladder cancer, ovarian cancer, uterine cancer, endometrial cancer, breast cancer, liver cancer, pancreatic cancer, stomach cancer, cervical cancer, lymphoma, leukemia, acute myeloid leukemia, acute lymphocytic leukemia, salivary gland cancer, bone cancer, brain cancer, colon cancer, rectal cancer, colorectal cancer, kidney cancer, skin cancer, melanoma, squamous cell carcinoma of the tongue, pleomorphic adenoma, hepatocellular carcinoma, pancreatic cancer, squamous cell carcinoma, and/or adenocarcinoma. In another embodiment, the compounds of the invention can be used to treat a leukemia, lung cancer, ovarian cancer, and/or breast cancer.

  本发明涉及与野生型CBFβ结合并抑制CBFβ与RUNX蛋白结合的化合物。本发明的有效化合物以低微摩尔浓度抑制这种蛋白质-蛋白质相互作用，利用变构机制实现抑制，从细胞中置换野生型CBFβ从而改变RUNX1在靶基因上的占位率，改变RUNX1靶基因的基因表达。这些抑制剂表现出与靶向RUNX蛋白活性一致的明显生物学效应。含有本发明化合物和药学可接受载体的制药组合物代表该发明的另一实施形式。该发明的另一实施形式是通过向需要治疗的主体施用本发明化合物的治疗有效量来治疗表达野生型CBFβ的RUNX信号依赖性癌症。在一种实施形式中，该癌症被选自RUNX信号依赖性白血病，肺癌，膀胱癌，卵巢癌，子宫癌，子宫内膜癌，乳腺癌，肝癌，胰腺癌，胃癌，宫颈癌，淋巴瘤，白血病，急性髓性白血病，急性淋巴细胞白血病，涎腺癌，骨癌，脑癌，结肠癌，直肠癌，结直肠癌，肾癌，皮肤癌，黑色素瘤，舌鳞状细胞癌，多形性腺瘤，肝细胞癌，胰腺癌，鳞状细胞癌和/或腺癌。在另一实施形式中，本发明的化合物可用于治疗白血病，肺癌，卵巢癌和/或乳腺癌。
• 2-Mono and 2,3-bis (poly) chloromethyl) pyridines
  申请人：THE DOW CHEMICAL COMPANY

  公开号：EP0254052A1

  公开（公告）日：1988-01-27

  Novel 2,3-bis((poly)chloromethyl)pyridines and 3,6-dichloro-2-(polychloromethyl)pyridines were obtained by vapor phase chlorination of 2,3-lutidine. Chlorination at about 350°C using a l4.4 sec. residence time and a chlorine to 2,3-lutidine mole ratio of about 6.8, for example, produced 2-(chloromethyl)-3-­(dichloromethyl)pyridine, 3-(chloromethyl)-2-­(dichloromethyl)pyridine, 2,3-bis(dichloromethyl)­pyridine, 6-chloro-2,3-bis(dichloromethyl)pyridine, 3-(dichloromethyl)-2-(trichloromethyl)pyridine, 6-chloro-3-(dichloromethyl)-2-(trichloromethyl)­pyridine, 6-chloro-2-(dichloromethyl)-3-­(trichloromethyl)pyridine, and 3,6-dichloro-2-­(trichloromethyl)pyridine. The compounds are useful as starting materials for herbicides and pharmaceutical agents.

  通过对 2,3-丁啶进行气相氯化，获得了新型 2,3-双（（多氯甲基））吡啶和 3,6-二氯-2-（多氯甲基）吡啶。氯化温度约为 350°C，停留时间为 14.4 秒，氯与 2,3-丁啶的摩尔比约为 6.例如，在约 350°C 的温度下进行氯化，停留时间为 l4.4 秒，氯与 2,3-丁啶的摩尔比约为 6.5：8，可制得 2-(氯甲基)-3-(二氯甲基)吡啶、3-(氯甲基)-2-(二氯甲基)吡啶、2,3-双(二氯甲基)吡啶、6-氯-2,3-双(二氯甲基)吡啶、3-(二氯甲基)-2-(三氯甲基)吡啶、6-氯-3-(二氯甲基)-2-(三氯甲基)吡啶、6-氯-2-(二氯甲基)-3-(三氯甲基)吡啶和 3,6-二氯-2-(三氯甲基)吡啶。这些化合物可用作除草剂和药剂的起始原料。
• Imidazopyrrolopyridines and condensed derivatives thereof useful in the preparation of herbicidal compounds
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0277661A1

  公开（公告）日：1988-08-10

  This invention relates to novel imidazopyrrolopyridine derivatives and imidazopyrroloquinoline derivatives of formula which can be used as intermediates for preparing novel herbicidally effective dihydroimidazopyrrolopyridines and derivatives thereof which are useful for the control of undesirable monocotyledonous and dicotyledonous plant species. The invention also relates to a process for the preparation of said intermediates.

  本发明涉及新型咪唑并吡咯并吡啶衍生物和咪唑并吡咯喹啉衍生物，它们可用作制备新型除草有效的二氢咪唑并吡咯并吡啶及其衍生物的中间体。 的新型咪唑并吡咯并吡啶衍生物和咪唑并吡咯喹啉衍生物，它们可用作制备新型除草有效的二氢咪唑并吡咯并吡啶及其衍生物的中间体，可用于控制不良的单子叶和双子叶植物物种。本发明还涉及一种制备上述中间体的工艺。
• 2-(1-substituted-2-imidazolin-2-yl)benzoic and nicotinic acids and a method for their preparation
  申请人：AMERICAN CYANAMID COMPANY

  公开号：EP0433655A1

  公开（公告）日：1991-06-26

  2-(1-Substituted-2-imidazolin-2-yl)benzoic and nicotinic acids, and derivatives thereof, which are effective in the control of undesirable plant species are described. Also described are a method for the herbicidal use of the compounds and a method for their preparation.

  本文描述了可有效控制不良植物物种的 2-(1-取代-2-咪唑啉-2-基)苯甲酸和烟酸及其衍生物。此外，还介绍了这些化合物的除草方法及其制备方法。