1-Methylxanthine

Modify Date: 2024-01-04 11:22:21

1-Methylxanthine structure	Common Name	1-Methylxanthine
	CAS Number	6136-37-4	Molecular Weight	166.137
	Density	1.5±0.1 g/cm3	Boiling Point	N/A
	Molecular Formula	C₆H₆N₄O₂	Melting Point	≥300 °C
	MSDS	N/A	Flash Point	N/A

Use of 1-Methylxanthine

1-Methylxanthine, a caffeine derivative, is an essential human urinary metabolite of caffeine and theophylline (1,3-dimethylxanthine, TP)[1]. 1-Methylxanthine enhances the radiosensitivity of tumor cells[2].

Name	1-methyl-7H-xanthine
Synonym	More Synonyms

Description	1-Methylxanthine, a caffeine derivative, is an essential human urinary metabolite of caffeine and theophylline (1,3-dimethylxanthine, TP)[1]. 1-Methylxanthine enhances the radiosensitivity of tumor cells[2].
Related Catalog	Research Areas >> Cancer
Target	Human Endogenous Metabolite
In Vitro	1-Methylxanthine (1-MTX; 3 mM; for 30 min) increases the radiation-induced clonogenic and apoptotic cell (RKO human colorectal cancer cells carrying wild type protein 53 kDa (p53)) death[2]. 1-Methylxanthine (1MX) exhibits similar activities to other naturally occurring methylxanthines. Unlike caffeine, TP, and theobromine, 3-Methylxanthine (3MX) and 1-methylxanthine do not occur naturally at high levels in plants[1].
References	[1]. Algharrawi KH, et al. Direct conversion of theophylline to 3-methylxanthine by metabolically engineered E. coli. Microb Cell Fact. 2015 Dec 21;14:203. [2]. Youn H, et al. 1-Methylxanthine enhances the radiosensitivity of tumor cells. Int J Radiat Biol. 2009 Feb;85(2):167-74.

Density	1.5±0.1 g/cm3
Melting Point	≥300 °C
Molecular Formula	C₆H₆N₄O₂
Molecular Weight	166.137
Exact Mass	166.049072
PSA	83.54000
LogP	-1.52
Index of Refraction	1.627
Storage condition	-20°C Freezer

1-Methylxanthine MSDS(Chinese)

CHEMICAL IDENTIFICATION

RTECS NUMBER :: ZD8575000

CHEMICAL NAME :: Xanthine, 1-methyl-

CAS REGISTRY NUMBER :: 6136-37-4

LAST UPDATED :: 199706

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C6-H6-N4-O2

MOLECULAR WEIGHT :: 166.16

WISWESSER LINE NOTATION :: T56 BM DN FMVNVJ H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 510 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 24,393,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5255 No. of Facilities: 25 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 2440 (estimated) No. of Female Employees: 1459 (estimated)

Hazard Codes	T+
Risk Phrases	R26/27/28
Safety Phrases	S22-S24/25
WGK Germany	3
RTECS	ZD8575000
HS Code	2933990090

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~40%

1-Methylxanthine

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1-Methylxanthine

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Theophylline

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1-Methylxanthine

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1-Methylxanthine

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Precursor 10
CAS#:21236-97-5 6-Amino-3-methy... CAS#:85357-27-3 5,6-diamino-2-m... CAS#:77287-34-4 (Z)-Methanimidi... CAS#:61033-04-3 6-amino-5-nitro...
CAS#:4921-49-7 1H-Purine-2,6-d... CAS#:58-55-9 Theophylline CAS#:40959-24-8 5,6-diamino-3-m... CAS#:122-51-0 Triethyl orthof...
CAS#:50996-15-1 Formamide,N-(4-... CAS#:6136-36-3 8-chloro-1-meth...
DownStream 8
CAS#:2757-83-7 2,4,5,6(1H,3H)-... CAS#:57-13-6 Urea CAS#:58-55-9 Theophylline CAS#:58-08-2 Caffeine
CAS#:708-79-2 1-Methyluric acid CAS#:28822-58-4 3-Isobutyl-1-me... CAS#:69150-38-5 4-(1-methyl-2,6... CAS#:62374-32-7 1,3-Dimethyl-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%

methyl xanthine

6-Hydroxy-3-methyl-3,9-dihydro-2H-purin-2-one

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

methylxanthine

1H-Purine-2,6-dione, 3,7-dihydromethyl-

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

1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-

1-Methylxanthine

1-methyl-7H-xanthine

MFCD00005561

1-Methyl Xanthine

1-methyl-3,7-dihydropurine-2,6-dione

EINECS 228-108-5

3-Methylxanthine

1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-

2H-Purin-2-one, 3,9-dihydro-6-hydroxy-3-methyl-

oxoguanine

Shanghai Nianxing Industrial Co., Ltd
China
Product Name: 1-Methylxanthine
Price: Click To Check
Purity: 97.0%
Delivery: 10 Day
Contact: Yang
Email: sales@echemcloud.com

Shanghai Jizhi Biochemical Technology Co., Ltd
China
Product Name: 1-Methylxanthine
Price: ￥5550.0/1g ￥2020.0/250mg ￥580.0/50mg
Purity: 97.0%
Delivery: 2 Day
Contact: Liu jia
Email: 2130147988@qq.com

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

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