6-(Azaniumylmethyl)-4-oxopyran-3-olate

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡喃
• 英文名称: 6-(Azaniumylmethyl)-4-oxopyran-3-olate
• 化学式: C6H7NO3
• mdl: MFCD00055108
• 分子量: 141.12
• InChiKey: AULIQBZSRZXJJU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.2
• 重原子数：
  10
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  72.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-(Azaniumylmethyl)-4-oxopyran-3-olate 、 4-methoxymethylene-6-pyrrol-1-yl-4H-isoquinoline-1,3-dione 在 甲醇 、 氯仿 、 乙腈 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 1.0h， 以to give a beige solid, 157 mg, (55%), mp 310-2° C. dec的产率得到4-[[(5-hydroxy-4-oxopyran-2-yl)methylamino]methylidene]-6-pyrrol-1-ylisoquinoline-1,3-dione
  参考文献：
  名称：

  Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof

  摘要：

  这项发明提供了公式（I）的化合物，其结构为其中G1、G2、G3、G4、A1、A2、Y1、Y2、L1、Z、e和f在此定义，或其药学上可接受的盐，可用于治疗或预防癌症。

  公开号：

  US20080085890A1

文献信息

• [EN] PYRAN DERVATIVES AS CYP11A1 (CYTOCHROME P450 MONOOXYGENASE 11A1) INHIBITORS<br/>[FR] DÉRIVÉS DE PYRANE EN TANT QU'INHIBITEURS DE CYP11A1 (CYTOCHROME P450 MONOOXYGÉNASE 11A1)
  申请人：ORION CORP

  公开号：WO2018115591A1

  公开（公告）日：2018-06-28

  Compounds of formula (I) wherein R1, R2,R3,R4,R5,R23,R24,L, A and Bare as defined in claim 1, or pharmaceutically acceptable salts thereof are disclosed. The compounds of formula (I) possess utility as cytochrome P450 monooxygenase 11A1(CYP11A1) inhibitors. The compounds are useful as medicaments in the treatment of steroidreceptor, particularly androgen receptor,dependent diseases and conditions, such asprostate cancer.

  公式(I)的化合物，其中R1、R2、R3、R4、R5、R23、R24、L、A和B如权利要求1中定义，或其药用可接受的盐被披露。公式(I)的化合物具有作为细胞色素P450单加氧酶11A1（CYP11A1）抑制剂的使用价值。这些化合物作为药物用于治疗激素受体，尤其是雄激素受体相关的疾病和状况，如前列腺癌。
• Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof
  申请人：Tsou Hwei-Ru

  公开号：US20080085890A1

  公开（公告）日：2008-04-10

  This invention provides compounds of Formula (I), having the structure where G 1 , G 2 , G 3 , G 4 , A 1 , A 2 , Y 1 , Y 2 , L 1 , Z, e and f are defined herein, or a pharmaceutically acceptable salt thereof, which are useful for treating or preventing cancer.

  这项发明提供了具有结构的化合物（I），其中G1、G2、G3、G4、A1、A2、Y1、Y2、L1、Z、e和f在此处定义，或其药用可接受盐，用于治疗或预防癌症。
• METALLOPROTEIN INHIBITORS
  申请人：Puerta T. David

  公开号：US20070117848A1

  公开（公告）日：2007-05-24

  The present invention relates to metalloprotein inhibitors comprising: a. an organic substituent and at least one zinc binding group (ZBG) covalently attached thereto; or b. a ZBG substituted by a side chain wherein the ZBG is of formula (I): wherein X is O or S and each R 1 , R 2 , R 3 , and R 4 is individually hydrogen or an organic radical. The metalloprotein inhibitors are useful for preventing or treating a pathological disease, condition, or symptom that is associated with pathological metalloprotein activity and/or that is alleviated by inhibition of said activity.

  本发明涉及金属蛋白酶抑制剂，包括：a. 有机取代基和至少一个锌结合基团（ZBG）共价连接在一起；或者b. 通过侧链取代的ZBG，其中ZBG的公式为（I）：其中X为O或S，每个R1、R2、R3和R4分别为氢或有机基团。这些金属蛋白酶抑制剂可用于预防或治疗与病理性金属蛋白酶活性相关的病理性疾病、状况或症状，或者通过抑制该活性缓解的病理性疾病、状况或症状。
• POLYMER LIGANDS FOR NANOPARTICLES
  申请人：The Florida State University Research Foundation, Inc.

  公开号：US20150284517A1

  公开（公告）日：2015-10-08

  The disclosure is directed to polymer ligands that are optimally suited for surface-functionalizing magnetic nanoparticles. The amphiphilic polymers are prepared by coupling several amine-terminated anchoring groups, polyethylene glycol moieties, and reactive groups onto a poly(isobutylene-alt-maleic anhydride) (PIMA) chain. The reaction of maleic anhydride groups with amine-containing molecules is highly-efficient and occurs in one-step. The availability of several dopamine groups in the same ligand greatly enhances the ligand affinity, via multiple-coordination, to the magnetic NPs, while the hydrophilic and reactive groups promote colloidal stability in buffer media and allow subsequent conjugation with target biomolecules. Nanoparticles ligated with terminally reactive polymers have been easily coupled to target dyes and tested in live cell imaging with no measurable cytotoxicity.

  本文披露了一种聚合物配体，非常适合于表面功能化磁性纳米颗粒。这些两性聚合物是通过将多个末端氨基锚定基团、聚乙二醇基团和反应基团耦合到聚异丁烯-顺丙烯酸酐(PIMA)链上制备的。马来酸酐基团与含氨分子的反应高效，并且是一步完成的。同一配体中存在多个多巴胺基团，大大增强了配体的亲和力，通过多重配位与磁性纳米颗粒结合，而亲水性和反应基团则促进了在缓冲介质中的胶体稳定性，并允许后续与目标生物分子结合。末端反应性聚合物配体的纳米颗粒已经很容易地与目标染料耦合，并在活细胞成像中进行了测试，没有可测量的细胞毒性。
• Kojic acid ether-ester derivatives
  申请人：G.D. Searle & Co.

  公开号：EP0171814A1

  公开（公告）日：1986-02-19

  Kojic acid ether-ester derivatives of formula I take in are useful pharmacological agents for the prevention, management or alleviation of elastase mediated diseases or conditions.

  式 I 所含的曲酸醚酯衍生物是预防、控制或缓解弹性蛋白酶介导的疾病或病症的有效药剂。