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Chemical structure of 3-Methyladenine-d3

GC68539

3-Methyladenine-d3

Also known as 3-(trideuteriomethyl)-7H-purin-6-imine

3-Methyladenine-d3 is the deuterated form of 3-Methyladenine· 3-Methyladenine (3-MA) is an inhibitor of PI3K· It is widely used as an autophagy inhibitor by inhibiting class III PI3K

ChemicalCAS110953-39-4MW152.17FormulaC6H4D3N5
CAS number
110953-39-4
Molecular weight
152.17
Formula
C6H4D3N5
Solubility
DMSO ： 41·67 mg/mL (273·84 mM; ultrasonic and warming and heat to 60°C)
InChIKey
ZPBYVFQJHWLTFB-FIBGUPNXSA-N
Catalogue number
GC68539
Brand
GLPBIO
Computed properties PubChem CID 135908334 · XLogP -0.2 · TPSA 68.1 Ų · H-bond donors 2
XLogP
-0.2
TPSA
68.1 Ų
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

SMILES [2H]C([2H])([2H])N1C=NC(=N)C2=C1N=CN2

Computed descriptors from PubChem (CID 135908334), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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