CAS: 85-18-7; 8-Chlorotheophylline

英文名称8-Chlorotheophylline
中文名称8-氯茶碱
IUPAC名称8-chloro-1,3-dimethyl-7H-purine-2,6-dione
其它别名8-Chloro-1,3-dimethyl-2,6(1H,3H)-purinedione
CAS编号85-18-7
MFCD编号:MFCD00005581
EINECS号:201-590-4
FDA UNII编号:GE2UA340FM
分子式:C7H7ClN4O2
分子量:214.61
产品CID: 1846562
产品分类天然产物 → 生物碱

相似结构搜索
InChIKey: RYIGNEOBDRVTHA-UHFFFAOYSA-N
InChI=1S/C7H7ClN4O2/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h1-2H3,(H,9,10)…
计算化学: 氢键受体数3.0氢键供体数1.0可旋转键数0.0

MSDS等安全信息

GHS象形图
GHS符号GHS07;
注释: Exclamation mark
危险类别急性毒性类别4(经口)
警示词Warning(警告)
危险描述H302 |吞咽有害.
防范说明P301+P312a-P330-P501a-P264-P270-P301+P312+P330-P501
危险等级6.1(b)
UN编号2811
危险品标志Xn
包装等级III
安全声明36-37/39-26
危险类别码20/21/22-36/37/38-22
WGK Germany3

欧盟法规

REACH注册ECHA物质C&L通报REACH预注册

上下游产品

合成工艺路线路线简述

299421-58-2 = 85-18-7
反应条件:1.1 Reagents: Hydrochloric Acid
标题:Reactions Of Theophyllines. Chemical Conversions Of 8-Aminotheophyllinates
作者:Kuz'Menko,I. I.; Zvolinskaya,T. V.
参考文献:Chemistry Of Heterocyclic Compounds (New York)(Translation Of Khimiya Geterotsiklicheskikh Soedinenii) 日期:2001 卷标:36(8) 页码:963-970]

= 85-18-7
反应条件:1.1 Reagents: Chlorine Solvents: Chloroform
标题:Condensation Of Aldehydes And Ketones With 8-Hydrazinocaffeine
作者:Klosa,Josef
参考文献:Archiv Der Pharmazie Und Berichte Der Deutschen Pharmazeutischen Gesellschaft 日期:1956 卷标:289 页码:211-17]

58-55-9 = 85-18-7
反应条件:1.1 Reagents: Thionyl Chloride,Chlorine
标题:8-Chlorotheophylline
参考文献:United States]

56011-53-1 = 85-18-7
反应条件:1.1 Solvents: 1-Butanol
标题:Search For New Drugs In The Group Of Xanthine Derivatives. Xxxviii. 1,3-Dimethyl-8-Alkyl-6H,7H,10H-(1,2,4)-Triazepine[4,3-F]Purine-2,4-(1H,3H)-Diones And Their Derivatives
作者:Eckstein,M.; Zajaczkowska,J.
参考文献:Farmaco 日期:1975 卷标:30(2) 页码:122-7

1,3-二甲基尿酸置于五氯化磷,三氯氧磷体系中,化学反应生成 8-氯茶碱
参考文献:De86562
标题:De86562

专利信息

专利号:US-12435086-B2
优先权日:2020-04-29
标题:Synthesis of heterocyclic compounds
发明人：LIN JACK; WALTERS JASON
权利人:PLEXXIKON INC
摘要:Provided herein are intermediates and processes useful for facile synthesis of compounds of Formula 2:wherein R1 is C(O)R2; R2 is alkyl optionally substituted with 1-5 halogens; G is phenyl or a 5-6 membered heteroaryl optionally substituted with 1-2 R3; and each R3 is independently C1-C6 alkyl, CN, C1-C6 alkyl-CN, 3-6 membered cycloalkyl, or 4-6 membered heterocycloalkyl.

专利号:US-9745298-B2
优先权日:2015-05-06
标题:Synthesis of a compound that modulates kinases
发明人：IBRAHIM PRABHA N; JIN MASAYOSHI; MATSUURA SHINJI
权利人:PLEXXIKON INC; DAIICHI SANKYO CO LTD
摘要:The present disclosure provides processes for the preparation of a compound of formula I: n nor a salt thereof, active on the receptor protein kinases c-Kit and/or c-Fms and/or Flt3. The disclosure also provides compounds and processes for the preparation of the compounds that are synthetic intermediates to the compound of formula I.

专利号:US-2024217965-A1
优先权日:2020-04-29
标题 :Synthesis of heterocyclic compounds

专利号:US-2018305358-A1
优先权日:2015-05-06
标题:Synthesis of a compound that modulates kinases

专利号:US-2009291955-A1
优先权日:2005-11-15
标题 :Azacyclohexane Derivatives as Inhibitors of Stearoyl-Coenzyme a Delta-9 Desaturase
发明人：CRANE SHELDON N; ROBICHAUD JOEL STEPHANE; LEGER SERGE; RAMTOHUL YEEMAN K
权利人:CRANE SHELDON N; ROBICHAUD JOEL STEPHANE; LEGER SERGE; RAMTOHUL YEEMAN K
摘要:Azacyclohexane derivatives of structural formula I are selective inhibitors of stearoyl-coenzyme A delta-9 desaturase (SCD1) relative to other known stearoyl-coenzyme A desaturases. The compounds of the present invention are useful for the prevention and treatment of conditions related to abnormal lipid synthesis and metabolism, including cardiovascular disease, such as atherosclerosis; obesity; diabetes; neurological disease; metabolic syndrome; insulin resistance; and liver steatosis.

专利号:US-10399975-B2
优先权日:2015-05-06
标题:Synthesis of a compound that modulates kinases