4,5,7-三羟基香豆素 | 17575-26-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 香豆素及其衍生物
• 中文名称: 4,5,7-三羟基香豆素
• 英文名称: 4,5,7-trihydroxycoumarin
• 英文别名: 4,5,7-trihydroxychromen-2-one
• CAS: 17575-26-7
• 化学式: C₉H₆O₅
• mdl: MFCD01731740
• 分子量: 194.144
• InChiKey: HPNWGYCBCHLEMW-UHFFFAOYSA-N

物化性质

• 熔点：
  291 °C
• 沸点：
  555.6±50.0 °C(Predicted)
• 密度：
  1.782±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87
• 氢给体数：
  3
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2932209090

反应信息

• 作为反应物：
  描述：

  4,5,7-三羟基香豆素 在 sodium carbonate 、 维生素 C 作用下， 以 水 为溶剂， 反应 2.0h， 生成 蟛蜞菊内酯
  参考文献：
  名称：

  Mushroom tyrosinase catalysed synthesis of coumestans, bebzofuranderivatives and related heterocyclic compounds

  摘要：

  DOI：

  10.1016/s0040-4020(01)89154-7
• 作为产物：
  描述：

  4-amino-5,7-dihydroxycoumarin 在 盐酸 作用下， 反应 1.0h， 以1.2 g的产率得到4,5,7-三羟基香豆素
  参考文献：
  名称：

  Mushroom tyrosinase catalysed synthesis of coumestans, bebzofuranderivatives and related heterocyclic compounds

  摘要：

  DOI：

  10.1016/s0040-4020(01)89154-7

文献信息

• Coumarin-gossypol derivatives with antitumor activities and a method of preparing the same
  申请人：Liang Chengyuan

  公开号：US09758503B1

  公开（公告）日：2017-09-12

  A compound with antitumor activities is represented by formula A or formula B R1, R2, R3, and R4 are independently hydrogen, hydroxyl, alkoxy, halogen, formyl, unsubstituted or substituted alkyl, or unsubstituted or substituted cycloalkyl.

  具有抗肿瘤活性的化合物由化学式A或化学式B表示，其中R1、R2、R3和R4分别独立地表示氢、羟基、烷氧基、卤素、甲酰基、未取代或取代的烷基，或未取代或取代的环烷基。
• Products of condensations of hydroxycoumarin derivatives with aromatic and aliphatic dialdehydes, their preparation and antiviral action thereof
  申请人：Ivezic Zrinka

  公开号：US20050075388A1

  公开（公告）日：2005-04-07

  Disclosed are a novel class of components obtained in reactions of condensation of hydroxycoumarin derivatives with aromatic and aliphatic dialdehydes, their preparation and antiviral action thereof, such as against HIV.

  本发明揭示了一种新的组分类别，其通过羟基香豆素衍生物与芳香族和脂肪族二醛的缩合反应获得，以及它们的制备和抗病毒作用，如对HIV的作用。
• [EN] FUROCHROMENE DERIVATIVE WITH ANTI-INFLAMMATORY ACTIVITY<br/>[FR] DERIVE DE FUROCHROMENE A ACTIVITE ANTI-INFLAMMATOIRE
  申请人：PLIVA ISTRAZIVACKI INST D O O

  公开号：WO2005095411A1

  公开（公告）日：2005-10-13

  This invention relates to the novel compound of formula (I): and pharmaceutically acceptable salts and solvates thereof; to the processes and reactive intermediates for the preparation of this compound, pharmaceutical compositions which contain this compound, and the use of this compound in prophylaxis and therapeutic treatment of asthma as well as other diseases, disorders or conditions of human immune system.

  本发明涉及式(I)的新化合物及其药学上可接受的盐和溶剂化物；制备该化合物的过程和反应中间体；包含该化合物的药物组合物；以及在哮喘以及其他人类免疫系统疾病、疾病或疾病情况的预防和治疗中使用该化合物。
• Novel hydroxy and polyhydroxy derivatives of coumarin, peperation thereof and antiviral action thereof
  申请人：PLIVA farmaceutska, kemijska, prehrambena i kozmeticka industrija, dionicko drustvo

  公开号：EP0906909A1

  公开（公告）日：1999-04-07

  The present invention relates to novel hydroxy and polyhydroxy derivatives of coumarin fused with dialdehydes and aldehyde acids of the general formulae I, II, III and IV: wherein R1 = R2 = 4-hydroxycoumarin; R1 = R2 = 4,7-dihydroxycoumarin; R1 = R2 = 4,5,7-trihydroxycoumarin; R1 = 4-hydroxycoumarin, R2 = -CH(OH)CH3. An object of the invention are also processes for the preparation of hydroxy and polyhydroxy derivatives of coumarin fused with dialdehydes and aldehyde acids, and the antiviral action thereof. Novel hydroxy and polyhydroxy derivatives of coumarin according to the present invention exhibit antiviral action against HIV-1 virus.

  本发明涉及香豆素与通式 I、II、III 和 IV 中的二醛和醛酸融合的新型羟基和多羟基衍生物： 其中 R1 = R2 = 4-羟基香豆素； R1 = R2 = 4,7-二羟基香豆素 R1 = R2 = 4,5,7-三羟基香豆素； R1 = 4-羟基香豆素，R2 = -CH(OH)CH3。 本发明的另一个目的是制备与二醛和醛酸融合的香豆素羟基和多羟基衍生物的工艺及其抗病毒作用。 根据本发明的新型香豆素羟基和多羟基衍生物对 HIV-1 病毒具有抗病毒作用。
• 8-ARM POLYETHYLENE GLYCOL DERIVATIVE, MANUFACTURING METHOD AND MODIFIED BIO-RELATED SUBSTANCE THEREBY
  申请人：Xiamen Sinopeg Biotech Co., Ltd.

  公开号：EP3315531A1

  公开（公告）日：2018-05-02

  Disclosed are an 8-arm polyethylene glycol (PEG) derivative (formula 1), manufacturing method and modified bio-related substance thereby, wherein a tetravalent group U and four trivalent groups Ec form a highly symmetric octavalent central structure CORE0 together, Lc connects the octavalent center to eight PEG arms having polydiversity or monodiversity and having n1-n8 as the degrees of polymerization thereof. The terminal of one PEG chain is connected to at least one functional group F (k ≥ 1), and said PEG chain and F can be directly connected (g = 0) or connected with a divalent linking group L0 connected with a terminal branched group G (g = 1) therebetween. The latter provides more reacting sites to combine more pharmaceutical molecules, thereby increasing the drug loading capacity. The near-center symmetric structure of the derivative allows more precise control over the molecular weight during large-scale production, thereby facilitating acquisition of a product having a narrower molecular weight distribution. A bio-related substance modified thereby has a more uniform and controllable performance.

  本发明公开了一种 8 臂聚乙二醇（PEG）衍生物（式 1）、其制造方法和改性生物相关物质，其中一个四价基团 U 和四个三价基团 Ec 共同形成一个高度对称的八价中心结构 CORE0，Lc 将八价中心连接到八个 PEG 臂上，这些 PEG 臂具有多元性或单元性，其聚合度为 n1-n8。一条 PEG 链的末端与至少一个官能团 F（k ≥ 1）相连，所述 PEG 链和 F 可以直接相连（g = 0），也可以通过二价连接基 L0 与中间的末端支化基 G（g = 1）相连。后者提供了更多的反应位点，可以结合更多的药物分子，从而提高药物负载能力。衍生物的近中心对称结构可以在大规模生产过程中更精确地控制分子量，从而有利于获得分子量分布更窄的产品。由此改性的生物相关物质具有更均匀、更可控的性能。