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5142-23-4 molecular structure
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1-methyl-1H-pyrrolo[2,3-d]pyrimidin-4-amine

ChemBase ID: 132373
Molecular Formular: C7H8N4
Molecular Mass: 148.16522
Monoisotopic Mass: 148.07489628
SMILES and InChIs

SMILES:
Cn1cnc(c2ccnc12)N
Canonical SMILES:
Cn1cnc(c2c1ncc2)N
InChI:
InChI=1S/C7H8N4/c1-11-4-10-6(8)5-2-3-9-7(5)11/h2-4H,8H2,1H3
InChIKey:
SNBXPRWTKZJKKB-UHFFFAOYSA-N

Cite this record

CBID:132373 http://www.chembase.cn/molecule-132373.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-methyl-1H-pyrrolo[2,3-d]pyrimidin-4-amine
IUPAC Traditional name
1-methylpyrrolo[2,3-d]pyrimidin-4-amine
Synonyms
3-MA
6-Amino-3-methylpurine
3-Methyladenine
CAS Number
5142-23-4
EC Number
225-908-6
MDL Number
MFCD00010531
Beilstein Number
146087
PubChem SID
162226650
24897326
PubChem CID
12662857

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
M9281 external link Add to cart Please log in.
Data Source Data ID
PubChem 12662857 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.012556344  LogD (pH = 7.4) 0.012649752 
Log P 0.012650943  Molar Refractivity 43.0468 cm3
Polarizability 15.965805 Å3 Polar Surface Area 56.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
~300 °C (dec.)(lit.) expand Show data source
RTECS
AU6520000 expand Show data source
German water hazard class
3 expand Show data source
Quality Level
PREMIUM expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - M9281 external link
Preparation Note
This product is soluble in DMF (10 mg/ml, may require gentle heating), yielding a clear, colorless solution. It is also soluble in water, 95% ethanol, or 1 N NaOH at 30 mg/ml with heating, but upon cooling, the product precipitates from solution. Solutions of 3-MA are best prepared fresh.
Application
3-Methyladenine (3-MA) is used to inhibit and study the mechanism of autophagy (lysosomal self-degradation) and apoptosis under various conditions. 3-MA inhibits autophagy by blocking autophagosome formation via the inhibition of type III Phosphatidylinositol 3-kinases (PI-3K). For use as an autophagy inhibitor, 3-MA is typically used at a concentration of 5 mM.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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