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1,7-Dimethylxanthine

Name: 1,7-Dimethylxanthine
Brand: SIGMA
Price: 5190 CZK

~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	Please contact Customer Service for Availability	5 190,00 CZK
500 mg	Please contact Customer Service for Availability	20 700,00 CZK

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

5 190,00 CZK

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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	C102	222526
Sigma-Aldrich D5385 1,7-Dimethylxanthine	Supelco PHR2000 Caffeine Impurity F	Sigma-Aldrich C102 8-Cyclopentyl-1,3-dimethylxanthine	Sigma-Aldrich 222526 3-Methylxanthine
description ~98%, solid	description Pharmaceutical Secondary Standard; Certified Reference Material	description ≥98% (HPLC), powder	description 98%
assay ~98%	assay -	assay ≥98% (HPLC)	assay 98%
form solid	form solid	form powder	form -
Quality Level 200	Quality Level 300	Quality Level 100	Quality Level 200
solubility ethanol: 0.6 mg/mL, H₂O: 1 mg/mL, 0.1 M NaOH: 2 mg/mL	solubility -	solubility DMSO: ~16 mg/mL at 60 °C, 45% (w/v) aq 2-hydroxypropyl-β-cyclodextrin: 0.77 mg/mL, H₂O: slightly soluble <0.28 mg/mL, 0.1 M NaOH: soluble	solubility -
color white	color -	color white to off-white	color -
Gene Information human ... ADORA1(134), ADORA2A(135), ADORA2B(136), ADORA3(140) rat ... Adora1(29290), Adora2a(25369)	Gene Information -	Gene Information human ... ADORA1(134)	Gene Information rat ... Adora1(29290), Adora2a(25369)

Pictograms

GHS07

Signal Word

Warning

Hazard Codes

H302

Precautionary Statements

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 (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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