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C7731

Caffeine

Name: Caffeine
Brand: SIAL

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

UNSPSC Code:

12352210

NACRES:

NA.21

PubChem Substance ID:

24892984

EC Number:

200-362-1

Beilstein/REAXYS Number:

17705

MDL number:

MFCD00005758

Grade:

anhydrous

Agency:

USP/NF, meets USP testing specifications

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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

GHS07

signalword

Warning

hcodes

H302

Hazard Classifications

Acute Tox. 4 Oral

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

pcodes

P264 - P270 - P301 + P312 - P501

Storage Class

11 - Combustible Solids

Regulatory Information

监管及禁止进口产品

This item has

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Certificates of Analysis (COA)

Lot/Batch Number

0000546185

0000525473

0000462619

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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)

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)

Effects of caffeine on human health

Nawrot P, et al.

Food Additives and Contaminants, 20(1), 1-30 (2003)

There and back again: Iterating between population-based modeling and experiments reveals surprising regulation of calcium transients in rat cardiac myocytes.

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

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Global Trade Item Number

SKU	GTIN
C7731-1KG	04061833521021
C7731-250G	04061833521038

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