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Merck

T4146

Sigma-Aldrich

1,3,9-三甲基黄嘌呤 CRM

≥98% (HPLC), solid

别名:

2,6-二氢-1,3,9-三甲基嘌呤, Isocaffeine

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About This Item

经验公式(希尔记法):
C8H10N4O2
CAS号:
分子量:
194.19
Beilstein:
196140
EC 号:
MDL编号:
UNSPSC代码:
41106305
PubChem化学物质编号:

生物来源

synthetic (organic)

方案

≥98% (HPLC)

表单

solid

溶解性

H2O: >20 mg/mL

储存温度

room temp

SMILES字符串

CN1C(=O)N(C)c2c(ncn2C)C1=O

InChI

1S/C8H10N4O2/c1-10-4-9-5-6(10)11(2)8(14)12(3)7(5)13/h4H,1-3H3

InChI key

LPHGQDQBBGAPDZ-UHFFFAOYSA-N

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应用

1,3,9-Trimethylxanthine (Isocaffeine) may be used to study the mechanism of inositol-trisphosphate (Ins-P3) induced calcium release. 1,3,9-Trimethylxanthine may be used as an internal standard for measuring metabolites of caffeine in urine and other fluids by HPLC or capillary electrophoresis. 1,3,9-Trimethylxanthine may be used in studies on the binding of caffeine analogues to adenosine receptors.

生化/生理作用

1,3,9-三甲基黄嘌呤是一种腺苷受体拮抗剂。

储存分类代码

13 - Non Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

Eyeshields, Gloves, type N95 (US)


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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访问文档库

Yuli Liu et al.
The journal of physical chemistry. B, 115(47), 13880-13890 (2011-10-06)
Using the recently solved crystal structure of the human adenosine A(2A) receptor, we applied MM/PBSA to compare the binding modes of caffeine with those of the high-affinity selective antagonist ZM241385. MD simulations were performed in the environment of the lipid
L Missiaen et al.
The Biochemical journal, 300 ( Pt 1), 81-84 (1994-05-15)
We have investigated the effect of various methylxanthines on the basal and InsP3-stimulated unidirectional 45Ca2+ efflux from permeabilized A7r5 cells under different experimental conditions. We report that caffeine and theophylline inhibit the InsP3-induced Ca2+ release, whereas the basal Ca2+ leak
N Rodopoulos et al.
Scandinavian journal of clinical and laboratory investigation, 54(4), 305-315 (1994-07-01)
Caffeine (CA) and its 14 main metabolites were determined in urine by reversed-phase high-performance liquid chromatography (RP-HPLC) and capillary electrophoresis (CE). After addition of 1,3,9-trimethylxanthine, uracil and beta-hydroxyethyltheophylline as internal standards, samples were separated by RP-HPLC into three fractions; A

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