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C7731

Sigma-Aldrich

Caffeine

meets USP testing specifications, anhydrous

Synonym(s):

1,3,7-Trimethylxanthine

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About This Item

Empirical Formula (Hill Notation):
C8H10N4O2
CAS Number:
58-08-2
Molecular Weight:
194.19
Beilstein:
17705
EC Number:
200-362-1
MDL number:
MFCD00005758
UNSPSC Code:
12352210
PubChem Substance ID:
24892984
NACRES:
NA.21

grade

anhydrous

Quality Level

200

Agency

USP/NF
meets USP testing specifications

form

crystalline
powder

mp

234-236.5 °C (lit.)

solubility

H2O: soluble 18.7 g/L at 16 °C

SMILES string

CN1C(=O)N(C)c2ncn(C)c2C1=O

InChI

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

InChI key

RYYVLZVUVIJVGH-UHFFFAOYSA-N

Gene Information

human ... ADORA1(134) , ADORA2A(135) , ADORA2B(136) , ADORA3(140) , PDE4B(5142)
mouse ... Adora2b(11541)
rat ... Adora1(29290) , Adora2a(25369)

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General description

Caffeine is a commonly consumed pharmacologically active substance. It is a member of the class of methylxanthines. It is a natural alkaloid found in coffee, cocoa and other plants. Caffeine might be linked to osteoporosis, cardiovascular risk, arrhythmia and gastrointestinal disturbances. Caffeine is used to treat orthostatic hypotension, bronchopulmonary dysplasia and apnea of prematurity (AOP).

Application

Caffeine has been used:
  • to functionally disable Ca2+ removal via sarco/endoplasmic reticulum Ca2+ ATPase (SERCA)
  • to determine its effects in overcoming excitation-contraction-coupling failure
  • to compare its role as a stimulant with guarana

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302

Precautionary Statements

P301 + P312 + P330

Hazard Classifications

Acute Tox. 4 Oral

WGK

WGK 1

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

监管及禁止进口产品

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Lot/Batch Number

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There and back again: Iterating between population-based modeling and experiments reveals surprising regulation of calcium transients in rat cardiac myocytes
Devenyi RA and Sobie EA
Journal of Molecular and Cellular Cardiology, 96, 38-48 (2016)
Ryan A Devenyi et al.
Journal of molecular and cellular cardiology, 96, 38-48 (2015-08-04)
While many ion channels and transporters involved in cardiac cellular physiology have been identified and described, the relative importance of each in determining emergent cellular behaviors remains unclear. Here we address this issue with a novel approach that combines population-based
Metabolic effects of spices, teas, and caffeine
Westerterp-Plantenga M, et al.
Physiology & Behavior, 89(1), 85-91 (2006)
Apnea of prematurity: from cause to treatment
Zhao J, et al.
European Journal of Pediatrics, 170(9), 1097-1105 (2011)
Caffeine?s beneficial effect on maximal voluntary strength and activation in uninjured but not injured muscle
Park ND, et al.
International Journal of Sport Nutrition and Exercise Metabolism, 18(6), 639-652 (2008)
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