1-Methylxanthine - CAS 6136-37-4

Catalog:	BB031071
Product Name:	1-Methylxanthine
CAS:	6136-37-4
Synonyms:	1-methyl-3,7-dihydropurine-2,6-dione

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	1-methyl-3,7-dihydropurine-2,6-dione
Description:	A metabolite of Theophylline.
Molecular Weight:	166.14
Molecular Formula:	C6H6N4O2
Canonical SMILES:	CN1C(=O)C2=C(NC1=O)N=CN2
InChI:	InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)
InChI Key:	MVOYJPOZRLFTCP-UHFFFAOYSA-N
Melting Point:	≥300 °C
Purity:	95 %
Density:	1.539 g/cm³
Solubility:	>24.9 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	Faint yellow solid
Storage:	-20 °C Freezer
MDL:	MFCD00005561
LogP:	-1.05010

Publication Number	Title	Priority Date
US-11033516-B1	Combination therapies with disulfiram	20200918
CN-111999398-A	Liquid chromatography-mass spectrometry analysis method for caffeine and metabolites thereof	20200709
US-2021315435-A1	Cleaning implement with a rheological solid composition	20200410
US-2021315783-A1	Rheological Solid Composition	20200410
US-2021315784-A1	Structured Rheological Solid Compositions	20200410

PMID	Publication Date	Title	Journal
32001318	20200301	Theophylline enhances melanogenesis in B16F10 murine melanoma cells through the activation of the MEK 1/2, and Wnt/β-catenin signaling pathways	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
26851681	20160315	Theophylline, a methylxanthine drug induces osteopenia and alters calciotropic hormones, and prophylactic vitamin D treatment protects against these changes in rats	Toxicology and applied pharmacology
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22981724	20121121	Effect of decursin on the pharmacokinetics of theophylline and its metabolites in rats	Journal of ethnopharmacology
23042276	20121008	Use of X-ray microprobe to diagnose bone tissue demineralization after caffeine administration	Folia histochemica et cytobiologica

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Purines

[1214-39-7]
N6-Benzyladenine
[20755-15-1]
2-Amino-7-benzyl-1,7-dihydro-6H-purin-6-one hydrochloride
[700-49-2]
2-Fluoroadenine
[5135-30-8]
5'-Tosyl Adenosine
[853029-57-9]
8-bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
[93703-24-3]
8-Bromo-3,9-dihydro-3-methyl-1H-purine-2,6-dione

Customers Also Viewed

[172531-37-2]
Azido-PEG3-acetic acid
[56507-37-0]
Metribuzin-diketo
[52236-30-3]
Metribuzin-desamino-diketo
[433335-00-3]
N-Boc-(tosyl)methylamine
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[2482-00-0]
Agmatine sulfate salt

INDUSTRY LEADERS TRUST OUR PRODUCTS

Phone

US & Canada (Toll free):

UK:

International:

E-mail & Fax

E-mail:

Fax:

Address

USA:

UK:

Our Products

Inquiry Basket

Loading ......

Delete selected Go to checkout

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.04907545
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	166.04907545
Rotatable Bond Count:	0
Topological Polar Surface Area:	78.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3