7-Methylxanthine

Modify Date: 2025-08-20 09:15:07

7-Methylxanthine structure	Common Name	7-Methylxanthine
	CAS Number	552-62-5	Molecular Weight	166.137
	Density	1.8±0.1 g/cm3	Boiling Point	N/A
	Molecular Formula	C₆H₆N₄O₂	Melting Point	300ºC
	MSDS	N/A	Flash Point	N/A

Use of 7-Methylxanthine

7-Methylxanthine, a methyl derivative of xanthine, is one of the purine components in urinary calculi.

Name	7-methylxanthine
Synonym	More Synonyms

Description	7-Methylxanthine, a methyl derivative of xanthine, is one of the purine components in urinary calculi.
Related Catalog	Research Areas >> Metabolic Disease Natural Products >> Saccharides and Glycosides
Target	Human Endogenous Metabolite
References	[1]. Caubet MS, et al. Determination of urinary 13C-caffeine metabolites by liquid chromatography-mass spectrometry: the use of metabolic ratios to assess CYP1A2 activity. J Pharm Biomed Anal. 2004 Feb 4;34(2):379-89.

Density	1.8±0.1 g/cm3
Melting Point	300ºC
Molecular Formula	C₆H₆N₄O₂
Molecular Weight	166.137
Exact Mass	166.049072
PSA	83.54000
LogP	-0.89
Index of Refraction	1.827
InChIKey	PFWLFWPASULGAN-UHFFFAOYSA-N
SMILES	Cn1cnc2[nH]c(=O)[nH]c(=O)c21
Water Solubility	Soluble in dimethyl sulfoxide. Insoluble in water.

7-Methylxanthine MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ZD8925000

CHEMICAL NAME :: Xanthine, 7-methyl-

CAS REGISTRY NUMBER :: 552-62-5

LAST UPDATED :: 199709

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C6-H6-N4-O2

MOLECULAR WEIGHT :: 166.16

WISWESSER LINE NOTATION :: T56 BN DN FMVMVJ B1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Unreported

SPECIES OBSERVED :: Amphibian - frog

DOSE/DURATION :: 10 mg/kg

TOXIC EFFECTS :: Peripheral Nerve and Sensation - spastic paralysis with or without sensory change Behavioral - changes in motor activity (specific assay) Lungs, Thorax, or Respiration - other changes

REFERENCE :: AEXPBL Archiv fuer Experimentelle Pathologie und Pharmakologie. (Leipzig, Ger. Dem. Rep.) V.1-109, 1873-1925. For publisher information, see NSAPCC. Volume(issue)/page/year: 43,305,1900

Hazard Codes	T+
Risk Phrases	26/27/28
Safety Phrases	S22-S24/25
WGK Germany	3
RTECS	ZD8925000
HS Code	2933990090

Precursor 8
CAS#:64995-73-9 3-benzyl-7-meth... CAS#:1021187-29-0 2,6-dibenzylthi... CAS#:72816-88-7 6-Amino-1-benzy... CAS#:2273-93-0 2,6-Dichloro-7-...
CAS#:5440-17-5 6-Chloro-7-meth... CAS#:38917-24-7 6-methoxy-7-met... CAS#:85982-51-0 6-methoxy-7-met... CAS#:85982-53-2 7-methyl-2-hydr...
DownStream 9
CAS#:7664-41-7 Ammonia CAS#:74-89-5 methylamine CAS#:57-13-6 Urea CAS#:61066-33-9 pyrimidine-2,4,...
CAS#:598-50-5 1-Methylurea CAS#:612-37-3 7,9-dihydro-7-m... CAS#:33403-02-0 7-methyl-3H-pur... CAS#:107-97-1 Sarcosine
CAS#:2273-93-0 2,6-Dichloro-7-...

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Name: Drug screen in LFS_MB_P medulloblastoma cells to determine synergistic drug combinati...
Source: 25008
Target: N/A
External Id: DKFZ_drug_screen_chromothripsis_LFS_MB_P

Name: Inhibition of DNA dependent ATPase activity of flag-tagged recombinant DNA2 D294A mut...
Source: ChEMBL
Target: DNA replication ATP-dependent helicase/nuclease DNA2
External Id: CHEMBL4418066

Name: Drug screen in ICB984 medulloblastoma cells to determine synergistic drug combination...
Source: 25008
Target: N/A
External Id: DKFZ_drug_screen_chromothripsis_ICB984_MB

Name: Drug screen in HDN33 neuroblastoma cells to determine synergistic drug combinations t...
Source: 25008
Target: N/A
External Id: DKFZ_drug_screen_chromothripsis_HDN33

Name: Inhibition of Escherichia coli recombinant DNA gyrase-mediated supercoiling of relaxe...
Source: ChEMBL
Target: N/A
External Id: CHEMBL1012510

Name: Drug screen in HD-MB03 medulloblastoma cells to determine synergistic drug combinatio...
Source: 25008
Target: N/A
External Id: DKFZ_drug_screen_chromothripsis_HD-MB03

Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4513082

Name: Drug screen in CRL2098 osteosarcoma cells to determine synergistic drug combinations ...
Source: 25008
Target: N/A
External Id: DKFZ_drug_screen_chromothripsis_CRL2098

Name: Binding affinity at Adenosine A1 receptor in rat brain cortical membrane using [3H]N6...
Source: ChEMBL
Target: Adenosine receptor A1
External Id: CHEMBL643484

Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of Cac...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4303805

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7-Methyl-3,7-dihydro-1H-purine-2,6-dione

7-Methylxanthine

EINECS 209-019-0

MFCD00037979

7-methyl-3H-purine-2,6-dione

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Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 7-Methylxanthine
Price: Check
Purity: 98.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 7-Methylxanthine
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
Delivery: Inquiry
Contact: Ms Wang
Email: enquiry@dycnchem.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 7-Methylxanthine
Price: ￥1318.0/250mg
Purity: 98.0%
Delivery: Inquiry
Contact: Liu jia
Email: 2130147988@qq.com

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Price: ￥1540/10 mM * 1 mL in DMSO

Reference only. check more 7-Methylxanthine price

7-Methylxanthine

Use of 7-Methylxanthine

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