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1,7-Dimethylxanthine

Name: 1,7-Dimethylxanthine
Brand: SIGMA
Price: 232 USD
Availability: InStock

~98% (TLC), solid, adenosine receptor ligand

Synonym(s):

1,7-Dimethyl-1H-purine-2,6-dione, 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione, 2,6-Dihydroxy-1,7-dimethylpurine, NSC 400018, Paraxanthine

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Size/SKU	Availability	Price
100 mg	Check Cart for Availability	$232.00
500 mg	Check Cart for Availability	$922.00

About This Item

Empirical Formula (Hill Notation):

C₇H₈N₄O₂

CAS Number:

611-59-6

Molecular Weight:

180.16

NACRES:

NA.77

PubChem Substance ID:

24277678

UNSPSC Code:

41106305

EC Number:

210-271-9

MDL number:

MFCD00005727

Beilstein/REAXYS Number:

197907

Assay:

~98%

Form:

solid

$232.00

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Properties

Product Name

1,7-Dimethylxanthine, ~98%, solid

assay

~98%

Quality Segment

200

form

solid

color

white

mp

294-296 °C (lit.)

solubility

ethanol: 0.6 mg/mL, H₂O: 1 mg/mL, 0.1 M NaOH: 2 mg/mL

SMILES string

CN1C(=O)Nc2ncn(C)c2C1=O

InChI

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

InChI key

QUNWUDVFRNGTCO-UHFFFAOYSA-N

Gene Information

human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140)
rat ... Adora1(29290), Adora2a(25369)

Description

General description

1,7-Dimethylxanthine is a primary metabolite of caffeine. It has ergogenic and sympathomimetic effects.

Application

1,7-Dimethylxanthine has been used for the quantification of caffeine by high-performance liquid chromatography (HPLC).

Biochem/physiol Actions

Adenosine receptor ligand; major metabolite of caffeine

Features and Benefits

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.

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This Item	PHR2000	T1633	705357
Sigma-Aldrich D5385 1,7-Dimethylxanthine	Supelco PHR2000 Caffeine Impurity F	Sigma-Aldrich T1633 Theophylline	Sigma-Aldrich 705357 3,7-Dimethylxanthine-(dimethyl-d₆)
description ~98%, solid	description Pharmaceutical Secondary Standard; Certified Reference Material	description anhydrous, ≥99%, powder	description 98 atom % D, 98% (CP)
assay ~98%	assay -	assay ≥99%	assay 98% (CP)
form solid	form solid	form powder	form powder
Quality Level 200	Quality Level 300	Quality Level 200	Quality Level 200
solubility H₂O: 1 mg/mL, ethanol: 0.6 mg/mL, 0.1 M NaOH: 2 mg/mL	solubility -	solubility 0.1 M NaOH: soluble, dilute HCl: soluble, ammonium hydroxide: soluble, NH₄OH: 50 mg/ml, clear, colorless, H₂O: slightly soluble 8.3 mg/ml, 0.1 M HCl: soluble, ethanol: moderately soluble, alcohol: 12.5 mg/ml, diethyl ether: slightly soluble, dilute nitric acid: soluble, aqueous base: soluble, chloroform: soluble 9.1 mg/ml	solubility -
color white	color -	color white	color -
mp 294-296 °C (lit.)	mp 294-296 °C (lit.)	mp -	mp 345 °C

pictograms

GHS07

signalword

Warning

hcodes

H302

pcodes

P264 - P270 - P301 + P312 - P501

Hazard Classifications

Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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