CAS: 761446-45-1; 1-(Phenylmethyl)-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-yl)-1H-Pyrazole

该化合物是一种合成有机化合物,具有药用化学的巨大潜力,具有独特的苯基替代体和四甲基-1,3,2-二氧乙醇-2-yl组,具有独特的电子特性,该化合物因其与各种生物目标相互作用的能力,为开发新型治疗剂提供了一个多用途平台,在药物发现方面的潜力受到高度评价.

英文名称1-(Phenylmethyl)-4-(4,4,5,5-Tetramethyl-1,3,2-Dioxaborolan-2-yl)-1H-Pyrazole
中文名称1-苄基-1H-吡唑-4-硼酸频哪醇酯
IUPAC名称1-benzyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
其它别名1-苄基-1H-吡唑-4-硼酸嚬哪醇酯; 2-(1-Benzyl-4-Pyrazolyl)-4,4,5,5-Tetramethyl-1,3,2-Dioxaborolane
CAS编号761446-45-1
MFCD编号:MFCD03789252
EINECS号:671-685-7
分子式:C16H21BN2O2
分子量:284.17
产品CID: 1753468
产品分类有机原料→分子砌块→芳杂环类化合物→吡唑类化合物

相似结构搜索
InChIKey: ZVPORPUUZXIPEF-UHFFFAOYSA-N
InChI=1S/C16H21BN2O2/c1-15(2)16(3,4)21-17(20-15)14-10-18-19(12-14)11-13-8-6-5-7-9-13/h5-10,12H,11H2,1-4H3…
计算化学: 氢键受体数4.0氢键供体数0.0可旋转键数3.0

相似化合物

852362-22-2 269410-08-4 761446-44-0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别特定目标器官毒性 - 单次接触类别3
皮肤腐蚀/刺激类别2
严重眼刺激类别2
急性毒性类别4(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
严重眼刺激类别2A
警示词Warning(警告)
危险描述H335 |可能引起呼吸道刺激.
H315 |造成皮肤刺激.
H319 |造成严重眼刺激.
H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
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
风险等级Irritant
安全声明22-24/25-37/39-26-36/37/38
危险类别码36/37/38-23-22
WGK Germany3

欧盟法规

ECHA物质C&L通报

上下游产品

CAS号50877-42-4 1-苄基-4-碘-1H-吡唑 | CAS号73183-34-3 双戊酰二硼 | CAS号269410-08-4 4-吡唑硼酸频哪醇酯 | CAS号100-39-0 溴化苄 | CAS号25015-63-8 频那醇硼烷

合成工艺路线路线简述

溴甲苯置于(1,1'-Bis(Diphenylphosphino)Ferrocene)Palladium(II) Dichloride,Potassium Acetate,Potassium Carbonate体系中,用二甲基亚砜,丙酮作为反应溶剂,化学反应 10.0H,反应生成 1-苄基-1H-吡唑-4-硼酸频哪醇酯
参考文献: Heteroaryl Compounds And Pharmaceutical Applications Thereof[fr] Composés Hétéroaryles Et Leurs Applications Pharmaceutiques
标题: Heteroaryl Compounds And Pharmaceutical Applications Thereof[fr] Composés Hétéroaryles Et Leurs Applications Pharmaceutiques
摘要:本发明提供的是一种杂环芳基化合物或其立体异构体,几何异构体,互变异构体,消旋体,N-氧化物,水合物,溶剂合物,代谢物,药学上可接受的盐或其前药,以及含有本文所披露的化合物的药物组合物.本发明还提供的是使用本文所披露的化合物或其药物组合物制造用于治疗自身免疫疾病或增殖性疾病的药物.

海关参考信息

2902300000-甲苯
2905122000-异丙醇
2905143000-叔丁醇
2905310000-1,2-乙二醇
💡 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:US-10226449-B2
优先权日:2013-12-20
标题:Heterocyclic modulators of lipid synthesis and combinations thereof
发明人：HEUER TIMOTHY SEAN; OSLOB JOHAN D; MCDOWELL ROBERT S; JOHNSON RUSSELL; YANG HANBIAO; EVANCHIK MARC; ZAHARIA CRISTIANA A; CAI HAIYING; HU LILY W; DUKE GREGORY; OHOL-GUPTA YAMINI; O'FARRELL MARIE
权利人:3 V BIOSCIENCES INC
摘要:Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by dysregulation of a fatty acid synthase pathway by the administration of such compounds and combinations of such compounds and other therapeutic agents.

专利号:US-9428502-B2
优先权日:2012-07-03
标题:Heterocyclic modulators of lipid synthesis
发明人：OSLOB JOHAN D; MCDOWELL ROBERT S; JOHNSON RUSSELL; YANG HANBIAO; EVANCHIK MARC; ZAHARIA CRISTIANA A; CAI HAIYING; HU LILY W; WAGMAN ALLAN S
权利人:3-V BIOSCIENCES INC
摘要:Heterocyclic modulators of lipid synthesis are provided as well as pharmaceutically acceptable salts thereof; pharmaceutical compositions comprising such compounds; and methods of treating conditions characterized by disregulation of a fatty acid synthase pathway by the administration of such compounds.

专利号:US-2018222892-A1
优先权日:2012-07-03
标题 :Heterocyclic modulators of lipid synthesis

专利号:EP-3083583-B1
优先权日:2013-12-20
标题:Heterocyclic modulators of lipid synthesis and combinations thereof

专利号:EP-3083583-A1
优先权日:2013-12-20
标题 :Heterocyclic modulators of lipid synthesis and combinations thereof

专利号:ES-2738823-T3
优先权日:2012-07-03
标题:Heterocyclic modulators of lipid synthesis