CAS: 84110-34-9; (3As,4S,6S,7Ar)-2-Isobutyl-3A,5,5-Trimethylhexahydro-4,6-Methanobenzo[d][1,3,2]Dioxaborole

该化合物是一个复杂的有机化合物,其特征是独特的双环结构,在二氧基框架内含有一个碳原子.该化合物具有多个立体中心,其性能可影响其再活性和生物系统中的相互作用.甲基桥和六氢水化合物的存在表明它可能表现出有趣的相容性.此外,三甲基和异丙基子组群增强了其成份,有可能影响其溶性与再活性.这些化合物常常因其在医药化学中的应用,特别是在含有钴的药物的开发方面,受到研究,因为原子具有独特的特性.

英文名称(3As,4S,6S,7Ar)-2-Isobutyl-3A,5,5-Trimethylhexahydro-4,6-Methanobenzo[d][1,3,2]Dioxaborole
中文名称(2-甲基丙基)硼酸(1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯
IUPAC名称(3aS,4S,6S,7aR)-2-isobutyl-3a,5,5-trimethylhexahydro-4,6-methanobenzo[d][1,3,2]dioxaborole
其它别名异丁基硼酸(1S,2S,3R,5S)-(+)-2,3-蒎二酯; 4,6-Methano-1,3,2-Benzodioxaborole,Hexahydro-3A,5,5-Trimethyl-2-(2-Methylpropyl)-, [3As-(3Aa,4B,6B,7Aa)]-
CAS编号84110-34-9
MFCD编号:MFCD09837626
FDA UNII编号:U6K9P83DBH
分子式:C14H25BO2
分子量:236.16
产品CID: 1829608
产品分类有机原料→分子砌块→桥环类化合物→其它桥环类化合物

相似结构搜索
InChIKey: QGWQMLAZUPRXGK-FMSGJZPZSA-N
InChI=1S/C14H25BO2/c1-9(2)8-15-16-12-7-10-6-11(13(10,3)4)14(12,5)17-15/h9-12H,6-8H2,1-5H3/t10-,11-,12+,14-/m0/s1…
计算化学: 氢键受体数2.0氢键供体数0.0可旋转键数2.0

相似化合物

132488-71-2 84110-39-4 85167-10-8

MSDS等安全信息

GHS符号GHS07
警示词Warning
危险描述H302-H315-H319-H335
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
危险品标志Xi
安全声明26-37
危险类别码36/37/38

上下游产品

合成工艺路线路线简述

18680-27-8 + 84110-40-7 = 84110-34-9
反应条件:1.1 Solvents: Diethyl Ether; 23 H,Rt
标题:Amorphous [(1R)-3-Methyl-1-[[(2S)-1-Oxo-3-Phenyl-2-[(Pyrazinylcarbonyl)Amino]Propyl]Amino]Butyl]Boronic Acid
作者:Anonymous
参考文献:Ip.Com Journal 日期:2009 卷标:9]

18680-27-8 + 84110-40-7 = 84110-34-9
反应条件:1.1 Solvents: Diethyl Ether; 4 H,Rt
标题:Potent And Selective Peptidyl Boronic Acid Inhibitors Of The Serine Protease Prostate-Specific Antigen
作者:Lebeau,Aaron M.; Singh,Pratap; Isaacs,John T.; Denmeade,Samuel R.
参考文献:Chemistry & Biology (Cambridge 日期:2008 卷标:15(7) 页码:665-674]

18680-27-8 + 84110-40-7 = 84110-34-9
反应条件:1.1 Reagents: Sodium Sulfate Solvents: Diethyl Ether
标题:Further Characterization Of A Putative Serine Protease Contributing To The γ-Secretase Cleavage Of β-Amyloid Precursor Protein
作者:Peuchmaur,Marine; Lacour,Marie-Agnes; Sevalle,Jean; Lisowski,Vincent; Touati-Jallabe,Youness; Et Al
参考文献:Bioorganic & Medicinal Chemistry 日期:2013 卷标:21(4) 页码:1018-1029]

18680-27-8 + 84110-40-7 = 84110-34-9
反应条件:1.1 Solvents: Hexane; 5 H,Reflux; Reflux -> Rt
标题:Synthesis Of (S)-(+)-Pinanediol-1-Chloro-3-Methylbutyl-1-Boronate
作者:Fu,Xuejiao; Yuan,Shenfeng; Chen,Zhirong; Yin,Hong
参考文献:Jingxi Huagong 日期:2011 卷标:28(12) 页码:1233-1235]

18680-27-8 + 84110-40-7 = 84110-34-9
反应条件:1.1 Solvents: Diethyl Ether; 7 H,25 °C
标题:Design,Synthesis And Docking Studies Of Novel Dipeptidyl Boronic Acid Proteasome Inhibitors Constructed From αα- And αβ-Amino Acids
作者:Shi,Jingmiao; Lei,Meng; Wu,Wenkui; Feng,Huayun; Wang,Jia; Et Al
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2016 卷标:26(8) 页码:1958-1962]

18680-27-8 + 84110-40-7 = 84110-34-9
反应条件:1.1 Solvents: Diethyl Ether; Rt
标题:Synthesis And Biological Evaluation Of Boron Peptide Analogues Of Belactosin C As Proteasome Inhibitors
作者:Nakamura,Hiroyuki; Watanabe,Mizuyoshi; Ban,Hyun Seung; Nabeyama,Wataru; Asai,Akira
参考文献:Bioorganic & Medicinal Chemistry Letters 日期:2009 卷标:19(12) 页码:3220-3224]

18680-27-8 + 84110-40-7 = 84110-34-9
反应条件:1.1 Solvents: Diethyl Ether; 24 H,Rt
标题:Proteasome Inhibitors With Photocontrolled Activity
作者:Hansen,Mickel J.; Velema,Willem A.; De Bruin,Gerjan; Overkleeft,Herman S.; Szymanski,Wiktor; Et Al
参考文献:Chembiochem 日期:2014 卷标:15(14) 页码:2053-2057]

18680-27-8 + 84110-40-7 = 84110-34-9
反应条件:1.1 Reagents: Sulfuric Acid Magnesium Salt (1:1) Solvents: Diethyl Ether; Overnight,Rt
标题:Expanding The Scope Of Pna-Encoded Libraries: Divergent Synthesis Of Libraries Targeting Cysteine,Serine And Metallo-Proteases As Well As Tyrosine Phosphatases
作者:Debaene,Francois; Da Silva,Julien A.; Pianowski,Zbigniew; Duran,Fernando J.; Winssinger,Nicolas
参考文献:Tetrahedron 日期:2007 卷标:63(28) 页码:6577-6586

(+)-α-蒎烯置于吡啶,四氧化锇,Magnesium Sulfate,N-甲基吗啉氧化物体系中,用乙醚,水,叔丁醇作为反应溶剂,化学反应生成 (2-甲基丙基)硼酸(1S,2S,3R,5S)-(+)-2,3-蒎烷二醇酯
参考文献:Expanding The Scope Of Pna-Encoded Libraries: Divergent Synthesis Of Libraries Targeting Cysteine,Serine And Metallo-Proteases As Well As Tyrosine Phosphatases
标题:Expanding The Scope Of Pna-Encoded Libraries: Divergent Synthesis Of Libraries Targeting Cysteine,Serine And Metallo-Proteases As Well As Tyrosine Phosphatases
摘要:Seven Pna-Encoded Combinatorial Libraries Targeting Proteases And Phosphatases With Covalent Reversible And Irreversible Mechanism-Based Inhibitors Were Prepared. The Libraries Were Synthesized Using Modified Pna Monomers,Which Dramatically Increase The Water Solubility Of The Libraries In Biologically Relevant Buffers. The Libraries Were Shown To Selectively Inhibit Targeted Enzymes. (C) 2007 Elsevier Ltd. All Rights Reserved.
DOI:10.1016/j.Tet.2007.03.033