5,5,6,6,8,8-六羟基-2,2,3,3-四甲基-2H,2H-9,9-bi苯并[g]色烯-4,4(3h,3h)-二酮 | 75514-37-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 萘并吡喃类
• 中文名称: 5,5,6,6,8,8-六羟基-2,2,3,3-四甲基-2H,2H-9,9-bi苯并[g]色烯-4,4(3h,3h)-二酮
• 英文名称: NSC345647
• 英文别名: Chaetochromin；chaetochromin A；5,6,8-trihydroxy-2,3-dimethyl-9-(5,6,8-trihydroxy-2,3-dimethyl-4-oxo-2,3-dihydrobenzo[g]chromen-9-yl)-2,3-dihydrobenzo[g]chromen-4-one
• CAS: 75514-37-3
• 化学式: C₃₀H₂₆O₁₀
• 分子量: 546.53
• InChiKey: RHNVLFNWDGWACV-UHFFFAOYSA-N

物化性质

• 沸点：
  718.5±60.0 °C(Predicted)
• 密度：
  1.508±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.9
• 重原子数：
  40
• 可旋转键数：
  1
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  174
• 氢给体数：
  6
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  乙酸酐 、 5,5,6,6,8,8-六羟基-2,2,3,3-四甲基-2H,2H-9,9-bi苯并[g]色烯-4,4(3h,3h)-二酮 在 吡啶 作用下， 生成 Acetic acid 5,6,5',6',8'-pentaacetoxy-2,3,2',3'-tetramethyl-4,4'-dioxo-3,4,3',4'-tetrahydro-2H,2'H-[9,9']bi[benzo[g]chromenyl]-8-yl ester
  参考文献：
  名称：

  Four novel bis-(naphtho-γ-pyrones) isolated from Fusarium species as inhibitors of HIV-1 integrase

  摘要：

  Integration of viral DNA into host cell DNA is an essential step in retroviral (HIV-1) replication and is catalyzed by HIV-1 integrase. HIV-1 integrase is a novel therapeutic target and is the focus of efforts to identify effective inhibitors that will prevent, or cure HIV infections, Four novel naphtho-gamma-pyrones belonging to the chaetochromin and ustilaginoidin family, were discovered as inhibitors of HIV-1 integrase from the screening Of fungal extracts using a recombinant in vitro assay. These compounds inhibit both the Coupled and strand transfer activity of HIV-1 integrase with IC50 values of 1-3 and 4-12 muM respectively. The discovery structure elucidation chemical modification and the structure-activity relationship of these compounds are described. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01057-0

文献信息

• Phosphonate Analogs Of Hiv Integrase Inhibitor Compounds
  申请人：Cai R. Zhenhong

  公开号：US20080076738A1

  公开（公告）日：2008-03-27

  Novel HIV integrase inhibitor compounds having at least one phosphonate group, protected intermediates thereof, and methods for inhibition of HIV-integrase are disclosed.

  本发明公开了至少具有一个膦酸酯基团的新型HIV整合酶抑制剂化合物、其受保护的中间体以及用于抑制HIV整合酶的方法。
• Chaetochromins B, C and D, bis(naphtho-.GAMMA.-pyrone) derivatives from Chaetomium gracile.
  作者：KIYOTAKA KOYAMA、SHINSAKU NATORI

  DOI：10.1248/cpb.35.578

  日期：——

  Besides chaetochromin A (1), a known mycotoxin and antitumor agent, three related bis (naphtho-γ-pyrone) derivatives named chaetochromins B (2), C (3), and D (4) were isolated from Chaetomium gracile. The structures were elucidated as the diastereomer, the 3-demethyl derivative, and the 2, 3-dehydro derivative of 1, respectively, chiefly on the basis of nuclear magnetic resonance data.
• NOVEL METHODOLOGY FOR IDENTIFYING ANTI-PERSISTER ACTIVITY AND ANTIMICROBIAL SUSCEPTIBILITY FOR BORRELIA BURGDORFERI AND OTHER BACTERIA
  申请人：ZHANG YING

  公开号：US20170058314A1

  公开（公告）日：2017-03-02

  The presently disclosed subject matter provides methods, compositions, and kits for assessing the viability of bacteria from a selected genus, assessing the antibiotic susceptibility of bacteria from the selected genus, and identifying compounds with anti-persister activity for bacteria from the selected genus. The bacteria include, but are not limited to, Borrelia burgdorferi, Staphylococcus aureus, Escherichia coli, Klebsiella pneumoniae, Acinetobacter baumanii , and Mycobacterium tuberculosis . Compositions include compounds with high activity against Borrelia persisters and their combinations with current Lyme antibiotics for more effect treatment of Lyme disease. Methods for inhibiting the growth and/or survival of bacteria from the Borrelia genus and for treating Lyme disease using appropriate drug combinations in a subject are also provided.
• COMPOSITIONS AND METHODS FOR TREATING HUANGLONGBING DISEASE IN CITRUS
  申请人：NEW LIFE CROP SCIENCES LLC

  公开号：US20210144998A1

  公开（公告）日：2021-05-20

  The subject invention pertains to compositions and methods for controlling and/or treating citrus greening in citrus plants, such as orange trees, grapefruit trees, lime trees, lemon trees and the like. The compositions include fertilizers and liquid formulations.
• [EN] MODULATORS OF INSULIN RECEPTOR<br/>[FR] MODULATEURS DU RÉCEPTEUR DE L'INSULINE
  申请人：UNIV EMORY

  公开号：WO2015134357A1

  公开（公告）日：2015-09-11

  This disclosure relates to methods and pharmaceutical compositions for the treatment and prevention of diabetes. In certain embodiments, compounds disclosed herein are 2Η,2Ή- [9,9'-bibenzo[g]chromene]-4,4'(3H,3'H)-dione and its derivatives. In certain embodiments, the disclosure contemplates compounds and pharmaceutical compositions. In certain embodiments, the disclosure contemplates compounds disclosed herein as prodrugs, optionally substituted with one or more substituents, derivatives, or salts thereof. This disclosure also relates to methods wherein a compound effective for the treatment of diabetes is administered orally.