CAS: 827316-44-9; 3-Iodo-1H-Pyrazole-4-Carbonitrile

该化合物是一个环形结构,由五名成员组成的七环有机化合物,包括两个相邻的氮原子;在4号位置上有一个碳酸三合物组(CN),有助于其在各种化学反应中,特别是在合成药品和农用化学物时,产生反应和潜在应用;在3号位置上的碘替代成分,增强了其电益特性,使它成为有机合成中有用的中间体.这种化合物一般在室内温度下是固体,在极地有机溶剂中可能表现出中等溶性.其分子结构允许各种功能化反应,可在药用化学中加以利用.此外,该化合物的特性,如熔点,沸点和光谱特性,可能因纯度和具体条件而不同.在处理时,应参考安全数据,因为卤化化合物可能对健康造成危害.

英文名称3-Iodo-1H-Pyrazole-4-Carbonitrile
中文名称3-碘吡唑-4-甲腈
IUPAC名称3-iodo-1H-pyrazole-4-carbonitrile
其它别名3-碘-4-氰基吡唑
CAS编号827316-44-9
MFCD编号:MFCD22393462
EINECS号:862-441-2
分子式:C4H2IN3
分子量:218.98
产品CID: 1817380
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: JEISIEQLHQZCOF-UHFFFAOYSA-N
InChI=1S/C4H2IN3/c5-4-3(1-6)2-7-8-4/h2H,(H,7,8)…
计算化学: 氢键受体数2.0氢键供体数1.0可旋转键数0.0

相似化合物

24086-18-8 1533443-11-6 2384763-04-4

MSDS等安全信息

GHS符号GHS07
危险类别急性毒性类别4(吸入)
急性毒性类别4(经皮)
急性毒性类别4(经口)
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2A
警示词Warning
危险描述H332 |吸入有害.
H312 |皮肤接触有害.
H302 |吞咽有害.
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.
防范说明P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

欧盟法规

C&L通报

上下游产品

3-Amino-4-cyanopyrazole

合成工艺路线路线简述

16617-46-2 = 827316-44-9
反应条件:1.1 Reagents: Sodium Nitrite,Hydrochloric Acid Solvents: Water; 5 Min,0 °C1.2 Reagents: Potassium Iodide Solvents: Water; 10 Min,0 °C; 5 Min,0 °C
标题:Potent And Selective Inhibitors Of Cdpk1 From T. Gondii And C. Parvum Based On A 5-Aminopyrazole-4-Carboxamide Scaffold
作者:Zhang,Zhongsheng; Et Al
参考文献:Acs Medicinal Chemistry Letters 日期:2014 卷标:5(1) 页码:40-44

3-氨基-4-氰基吡唑置于二碘甲烷,亚硝酸异戊酯体系中,化学反应 2.75H,反应生成 3-碘吡唑-4-甲腈
参考文献:Inhibitors Of Bruton'S Tyrosine Kinase
标题:Inhibitors Of Bruton'S Tyrosine Kinase
摘要:本申请公开了根据通式i的化合物:其中所有变量都定义为本文所述,这些化合物抑制btk.所公开的化合物可用于调节btk的活性并治疗与btk活性过度相关的疾病.这些化合物进一步用于治疗与异常b细胞增殖相关的炎症和自身免疫疾病,例如类风湿性关节炎.还公开了包含通式i化合物和至少一种载体,稀释剂或助剂的组合物.

海关参考信息

2926909090-其他腈基化合物
💡 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:CA-2934251-A1
优先权日:2013-12-20
标题:A combination of heterocyclic modulators of lipid synthesis and chemotherapeutic drugs in treatment of cancer

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