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可可碱,Theobromine;≥98.0%

别名:3,7-二甲基黄嘌呤;3,7-二氢-3,7-二甲基-1H-嘌呤-2,6-二酮;2,6-二羟基-3,7-二甲基嘌呤;3,7-Dimethylxanthine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 2,6-Dihydroxy-3,7-dimethylpurine

Empirical Formula (Hill Notation): C7H8N4O2 CAS号: 83-67-0 分子量: 180.16 Beilstein: 16464 EC 号: 201-494-2 MDL编号: MFCD00022830 PubChem化学物质编号: 24277679
制造商品牌: 西格玛 Sigma-Aldrich
货号(SKU): T4500
CAS号: 83-67-0
MDL号: MFCD00022830
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说明

可可碱是一种甲基黄嘌呤生物碱衍生物,大量存在于可可中。

可可碱具有镇咳作用,可用于治疗急性和慢性咳嗽。 它是咖啡因的分解代谢产物,具有抗氧化和促氧化特性。
磷酸二酯酶抑制剂; 弱腺苷受体拮抗剂; 利尿剂; 平滑肌松弛剂。

可可碱在碱水溶液中微溶,在水和乙醇中微溶。

一般描述

Theobromine is a methylxanthine alkaloid derivative, highly present in cocoa.
 

应用

Theobromine has been used:
  • to test in behavioural assay
  • as a food or dietary supplement
  • as a standard for theobromine quantification in brewed coffee samples

生化/生理作用

Theobromine possesses antitussive action and might be useful in treating acute and chronic cough. It is a catabolic product of caffeine and shows antioxidant and prooxidant properties.
Phosphosdiesterase inhibitor; weak adenosine receptor antagonist; diuretic; smooth muscle relaxant.
 

特点和优势

This compound is a featured product for Cyclic Nucleotide research. Click here to discover more featured Cyclic Nucleotide products. Learn more about bioactive small molecules for other areas of research at sigma.com/discover-bsm.
 

制备说明

Theobromine is moderately soluble in aqueous base and is slightly soluble in water and ethanol.
 
 

属性

质量水平

200

测定

≥98.0%

mp

345-350 °C

溶解性

H2O: slightly soluble
aqueous base: moderately soluble
ethanol: slightly soluble

SMILES string

[H]N1C(N(C)C2=C(N(C)C=N2)C1=O)=O

InChI

1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3H,1-2H3,(H,9,12,13)

InChI key

YAPQBXQYLJRXSA-UHFFFAOYSA-N

Gene Information

human ... ADORA1(134) , ADORA2A(135) , ADORA2B(136) , ADORA3(140)
rat ... Adora1(29290)

 

安全信息

象形图

Exclamation markHealth hazard

警示用语:

Warning

危险声明

危险分类

Acute Tox. 4 Oral - Carc. 2 - Eye Irrit. 2

储存分类代码

11 - Combustible Solids

WGK

WGK 1

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves

商品规格
属性名称属性值
储存温度 Storage temp.常温阴凉避光
全球实时库存 Availability √美国St. Louis ≥ 99 | 欧洲Eur. ≥ 10 | 東京Tokyo ≥ 22 | 香港与北京 ≥ 32
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