CAS: 502487-67-4; (E)-N1-(Adamantan-2-yl)-N2-(3,7-Dimethylocta-2,6-Dien-1-yl)Ethane-1,2-Diamine
该化合物是一个复杂的有机化合物,其独特的结构特征包括一个三环框架和长的脂体侧链.该化合物由于存在两个有矿功能的组,属于氨类,特别是二胺.二甲基八苯混合物的存在表明,不饱和碳氢化合物具有潜在的再活动性和相互作用,可能影响其生物活动和化学行为.三循环结构有助于其僵硬性,并可能影响其符合特性,有可能影响其溶性以及与生物目标的相互作用.这些化合物经常被研究其在医药,农业化学品或有机合成的中间体中的潜在用途.了解其物理化学特性,例如溶性,稳定性和再活性,对于评估其各个领域的实际应用和安全性至关重要.
- 英文名称(E)-N1-(Adamantan-2-yl)-N2-(3,7-Dimethylocta-2,6-Dien-1-yl)Ethane-1,2-Diamine
- 中文名称N1-((1R,3R,5R,7R)-金刚烷-2-基)-N2-((E)-3,7-二甲基辛-2,6-二烯-1-基)乙烷-1,2-二胺
- IUPAC名称N1-((1r,3r,5r,7r)-adamantan-2-yl)-N2-((E)-3,7-dimethylocta-2,6-dien-1-yl)ethane-1,2-diamine
- 其它别名N-[(2E)-3,7-Dimethyl-2,6-Octadienyl]-N'-Tricyclo[3.3.1.1(3,7)]Dec-2-Yl-1,2-Ethanediamine; Cenobamate; N'-(2-Adamantyl)-N-[(2E)-3,7-Dimethylocta-2,6-Dienyl]Ethane-1,2-Diamine; 1,2-Ethanediamine, N1-[(2E)-3,7-Dimethyl-2,6-Octadien-1-Yl]-N2-Tricyclo[3.3.1.13,7]Dec-2-Yl-
- CAS编号502487-67-4
- MFCD编号:MFCD11046358
- FDA UNII编号:9AU7XUV31A
- 分子式:C22H38N2分子量:330.56
- 产品CID: 1489728
- 产品分类Inhibitors/Agonists → Anti-infection → Antibacterial | Inhibitors/Agonists → Anti-infection → Antiparasitic
物理性质
合成工艺路线路线简述
海关参考信息
- 2901210000-乙烯
2901220000-丙烯
2921211000-乙二胺 - 💡 提示：海关信息按照顺序优先匹配，如需确认的海关信息，请参考相关资料。
- 详情请参考：📖 海关编码查询和海关进出口税则
专利信息
专利号:WO-2025096495-A1
优先权日:2023-10-30
标 题 :Aryl fluorosulfate-based inhibitors as novel antitubercular agents
发明人：YANG BAIYUAN; MCNAMARA CASE W; CHATTERJEE ARNAB K; PETRASSI H MICHAEL; SHARPLESS K BARRY; QIN BO; SUKHEJA PARIDHI; LOVE MELISSA; WOODS ASHLEY; LIU DONGDONG
权利人:SCRIPPS RESEARCH INST
摘要:The disclosure provides the identification and development of a first-in-class, small-molecule inhibitor (Compound 95) of Polyketide synthase 13 (Pks13), a critical node in cell wall biosynthesis for Mycobacterium tuberculosis (Mtb). Cell wall inhibitors are a critical component of TB treatment. Uniquely, the Compound 95 series has been shown to form a covalent adduct with serine residue 801 in the acyltransferase (AT) domain of Pks13. The inhibition of the Pks13 AT domain ultimately leads to disruption of mycolic acid synthesis, which is an essential component of the mycobacterial cell wall. While Pks13 is recognized as a high-value drug target, there are no Pks13 inhibitors in development and Compound 95 represents a new class of inhibitors for TB treatment.
供应商参考报价(招募中)
品牌试剂参考报价(招募中)
📌 第三方产品分析报告
主要参考文献
1: Jing W, Zhang F, Shang Y, Shi W, Yao C, Zhang X, Chu N, Lu J, Yuan J. Deciphering the possible role of MmpL7 efflux pump in SQ109 resistance in Mycobacterium tuberculosis. Ann Clin Microbiol Antimicrob. 2024 Sep 28;23(1):87. doi: 10.1186/s12941-024-00746-8.
2: Recio-Balsells AI, Carlucci R, Giovannuzzi S, Carta F, Supuran CT, Tekwani BL, Morbidoni HR, Labadie GR. Repurposing antiparasitic N,N'-aliphatic diamine derivatives as promising antimycobacterial agents. Arch Pharm (Weinheim). 2024 Nov;357(11):e2400597. doi: 10.1002/ardp.202400597. Epub 2024 Sep 12. 15(10):e0218324. doi: 10.1128/mbio.02183-24. Epub 2024 Aug 30.
4: Watson SJ, van der Watt ME, Theron A, Reader J, Tshabalala S, Erlank E, Koekemoer LL, Naude M, Stampolaki M, Adewole F, Sadowska K, Pérez-Lozano P, Turcu AL, Vázquez S, Ko J, Mazurek B, Singh D, Malwal SR, Njoroge M, Chibale K, Onajole OK, Kolocouris A, Oldfield E, Birkholtz LM. The Tuberculosis Drug Candidate SQ109 and Its Analogs Have Multistage Activity against Plasmodium falciparum. ACS Infect Dis. 2024 Sep 13;10(9):3358-3367. doi: 10.1021/acsinfecdis.4c00461. Epub 2024 Aug 14.
合成参考文献
参考文献:10.1016/j.ejmech.2010.01.046
摘要:Onajole OK, Govender P, Helden PDV, Kruger HG, Maguire GEM, Wiid I, Govender T. Synthesis and evaluation of SQ109 analogues as potential anti-tuberculosis candidates. European Journal of Medicinal Chemistry. 2010 May;45(5):2075–9. doi: 10.1016/j.ejmech.2010.01.046.
📝 需求与反馈
尽可能描述清楚需求与问题信息
