T4500

可可碱

≥98.0%

• 别名: 2,6-Dihydroxy-3,7-dimethylpurine, 3,7-Dihydro-3,7-dimethyl-1H-purine-2,6-dione, 3,7-Dimethylxanthine
• 经验公式（希尔记法）: C₇H₈N₄O₂
• CAS号: 83-67-0
• 分子量: 180.16
• Beilstein: 16464
• EC號碼: 201-494-2
• MDL號碼: MFCD00022830
• 分類程式碼代碼: 41106305
• PubChem物質ID: 24277679
• NACRES: NA.77

属性

• 化驗: ≥98.0%
• mp: 345-350 °C
• 溶解度: H₂O: slightly soluble; aqueous base: moderately soluble; ethanol: slightly soluble
• SMILES 字串: [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 密鑰: YAPQBXQYLJRXSA-UHFFFAOYSA-N
• 基因資訊: human ... ADORA1(134) , ADORA2A(135) , ADORA2B(136) , ADORA3(140) ; rat ... Adora1(29290)

说明

一般說明

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

應用

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.

特點和優勢

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.

準備報告

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

安全信息

• 象形圖: GHS07
• 訊號詞: Warning
• 危險聲明: H302,H319
• 防範說明: P264 - P280 - P301 + P312 - P305 + P351 + P338 - P337 + P313 - P501
• 危險分類: Acute Tox. 4 Oral - Eye Irrit. 2
• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 1
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable
• 個人防護裝備: dust mask type N95 (US), Eyeshields, Gloves