What is the Theobromine?

Theobromine is white to light yellow crystal powder, while it's Molecular Formula is C7H8N4O2. white to light yellow crystal powder diuretic, bronchodilator, cardiotonic

What is the CAS number for Theobromine?

The CAS number of Theobromine is 83-67-0.

What is Theobromine (83-67-0) used for?

Theobromine is a methylxanthine alkaloid and derivative of caffeine that has been found in cocoa beans and has diverse biological activities. It is an adenosine A1 receptor antagonist (IC50s = 200-280 μM in radioligand binding assays using rat brain membranes). Theobromine (150 μg/ml) increases AMPK phosphorylation and inhibits adipocyte differentiation, ERK and JNK phosphorylation, and IL-6 and TNF-α production in 3T3-L1 preadipocytes cultured in differentiation medium. It inhibits decreases in renal cortex SIRT1 activity and increases in NADPH oxidase-dependent reactive oxygen species (ROS) production, as well as reduces kidney hypertrophy and albuminuria in a spontaneously hypertensive rat model of streptozotocin-induced diabetes when administered at a dose of 5 mg/kg per day. Theobromine is toxic to dogs with an LD50 value of 250 to 500 mg/kg.InChI:InChI=1/C7H10N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3,7,13H,1-2H3,(H,9,12)

What is the Theobromine?

Theobromine is white to light yellow crystal powder, while it's Molecular Formula is C7H8N4O2. white to light yellow crystal powder diuretic, bronchodilator, cardiotonic

What is the CAS number for Theobromine?

The CAS number of Theobromine is 83-67-0.

What is Theobromine (83-67-0) used for?

Theobromine is a methylxanthine alkaloid and derivative of caffeine that has been found in cocoa beans and has diverse biological activities. It is an adenosine A1 receptor antagonist (IC50s = 200-280 μM in radioligand binding assays using rat brain membranes). Theobromine (150 μg/ml) increases AMPK phosphorylation and inhibits adipocyte differentiation, ERK and JNK phosphorylation, and IL-6 and TNF-α production in 3T3-L1 preadipocytes cultured in differentiation medium. It inhibits decreases in renal cortex SIRT1 activity and increases in NADPH oxidase-dependent reactive oxygen species (ROS) production, as well as reduces kidney hypertrophy and albuminuria in a spontaneously hypertensive rat model of streptozotocin-induced diabetes when administered at a dose of 5 mg/kg per day. Theobromine is toxic to dogs with an LD50 value of 250 to 500 mg/kg.InChI:InChI=1/C7H10N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3,7,13H,1-2H3,(H,9,12)

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Product classification

83-67-0

Product Name：Theobromine
Molecular Formula：C₇H₈N₄O₂
Purity：99%
Molecular Weight：180.166

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Product Details

Melting Point:345-350 °C

Appearance:white to light yellow crystal powder

Purity:99%

Cosmetics Grade Theobromine 83-67-0 For Sale with Good Price

Molecular Formula:C7H8N4O2
Molecular Weight:180.166
Appearance/Colour:white to light yellow crystal powder
Melting Point:345-350 °C
Refractive Index:1.737
Boiling Point:Sublimes 290-295oC
PKA:7.89(at 18℃)
Flash Point:290-295°C
PSA：72.68000
Density:1.608 g/cm³
LogP:-1.03970

Theobromine(Cas 83-67-0) Usage

Air & Water Reactions	Insoluble in water.
Reactivity Profile	Theobromine may be sensitive to prolonged exposure to light. Theobromine has weakly acidic properties, combining with bases to forms salts. Theobromine also has even weaker basic properties, combining with acids to form salts which are decomposed in aqueous solution. .
Fire Hazard	Flash point data for Theobromine are not available; however, Theobromine is probably combustible.
Flammability and Explosibility	Nonflammable
Safety Profile	Poison by ingestion. Moderately toxic by subcutaneous route. An experimental teratogen. Human systemic effects by ingestion: central nervous system and gastrointestinal changes. Experimental reproductive effects. Human mutation data reported. When heated to decomposition it emits toxic fumes of NOx. Used as a diuretic, smooth muscle relaxant, cardiac stimulant, and vasoddator.
Purification Methods	It crystallises from H2O. Its solubility in H2O is 0.06% at 15o and 1.25% at 100o, and it is poorly soluble in organic solvents. It forms salts with heavy metals and is a diuretic, vasodilator and a cardiac stimulant. [Lister Purines Part II, Fused Pyrimidines Brown Ed, Wiley-Interscience pp254-225 1971, ISBN 0-471-38205-1, Beilstein 26 H 457, 26 I 135, 26 II 264, 26 III/IV 2336.]
Definition	ChEBI: A dimethylxanthine having the two methyl groups located at positions 3 and 7. It is a purine alkaloid derived from cocoa tree.
General Description	Odorless white crystalline powder. Bitter taste. pH (saturated solution in water): 5.5-7.

InChI:InChI=1/C7H10N4O2/c1-10-3-8-5-4(10)6(12)9-7(13)11(5)2/h3,7,13H,1-2H3,(H,9,12)

83-67-0 Relevant articles

-

Nesterov,Chubova

, (1967)

-

Ovcharova et al.

, (1970)

SERS multiplexing of methylxanthine drug isomersviahost-guest size matching and machine learning

Chio, Weng-I Katherine,Dinish, U. S.,Jones, Tabitha,Lee, Tung-Chun,Liu, Jia,Olivo, Malini,Parkin, Ivan P.,Perumal, Jayakumar

supporting information, p. 12624 - 12632 (2021/10/06)

Multiplexed detection and quantification...

Method for preparing a theobromine (by machine translation)

-

, (2017/03/08)

The present invention provides a kind of...

Biochemical Studies of Mycobacterial Fatty Acid Methyltransferase: A Catalyst for the Enzymatic Production of Biodiesel

Petronikolou, Nektaria,Nair, Satish K.

, p. 1480 - 1490 (2015/12/01)

Summary Transesterification of fatty aci...

Molecular and biochemical characterization of caffeine synthase and purine alkaloid concentration in guarana fruit

Schimpl, Flávia Camila,Kiyota, Eduardo,Mayer, Juliana Lischka Sampaio,Gon?alves, José Francisco De Carvalho,Da Silva, José Ferreira,Mazzafera, Paulo

, p. 25 - 36 (2014/08/18)

Guarana seeds have the highest caffeine ...

83-67-0 Process route

: 58-08-2,138455-22-8,95789-13-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 58-55-9,75448-53-2
theophylline

: 83-67-0
theobromine /

: 611-59-6
paraxanthine

Conditions

Conditions	Yield
With hepatic cytochrome P₄₅₀; Enzymatic reaction;	12% 7%

: 58-08-2,138455-22-8,95789-13-2
3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione

: 58-55-9,75448-53-2
theophylline

: 83-67-0
theobromine /

: 611-59-6
paraxanthine

: 5415-44-1
1,3,7-trimethyluric acid

Conditions

Conditions	Yield
With phosphate buffer; NADPH; recombinant rat cytochrome P₄₅₀ 1A₂; at 37 ℃; Further Variations:; Catalysts; Enzyme kinetics;
With NADPH; human cDNA-expressed cytochrome P₄₅₀ 1A₂ (supersomes); In phosphate buffer; at 37 ℃; for 60h; pH=7.4; Further Variations:; Reagents; Enzyme kinetics;

83-67-0 Upstream products

14785-95-6
3-methyl-4-amino-5-formylamino-2,6-dioxypyrimidine
64-17-5
ethanol
519-41-5
3,7-dimethyl-3,7-dihydro-purine-2,6-dione, theobromine; salicylate
1076-22-8
3-methylxanthine

83-67-0 Downstream products

1507-14-8
1-(2-hydroxyethyl)-3,7-dimethyl-3,7-dihydropurine-2,6-dione
50-39-5
Vascopil
109339-91-5
1-(β-hydroxy-phenethyl)-3,7-dimethyl-3,7-dihydro-purine-2,6-dione
2530-99-6
N-allyltheobromine

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