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O6-Benzylguanine

CAT: 0607-B5974-250Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0607-B5974-250Size:250 mg
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Description
Potent MGMT inhibitor
CAS Number
19916-73-5
Product Name Alternative
6-(benzyloxy)-9H-purin-2-amine
Field of Research
Others MGMT
Purity
0.9972
Form
A solid
Solubility
insoluble in H2O; ≥11.3 mg/mL in EtOH with gentle warming; ≥56.2 mg/mL in DMSO
Smiles
[H]N1C2=NC(N)=NC(OCC3=CC=CC=C3)=C2N=C1
Molecular Formula
C12H11N5O
Molecular Weight
241.2
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

6-(Phenylmethoxy)-9H-purin-2-amine

6-O-benzylguanine has been used in trials studying the treatment of HIV Infection, Adult Gliosarcoma, Adult Glioblastoma, Stage I Adult Hodgkin Lymphoma, and Stage II Adult Hodgkin Lymphoma, among others.

CAS Number19916-73-5
PubChem CID4578
IUPAC Name6-phenylmethoxy-7H-purin-2-amine
Molecular FormulaC12H11N5O
Molecular Weight241.25
XLogP1.2
Topological Polar Surface Area89.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity271
SMILES
C1=CC=C(C=C1)COC2=NC(=NC3=C2NC=N3)N
InChI
InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)
InChIKey
KRWMERLEINMZFT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-(Phenylmethoxy)-9H-purin-2-amine
CAS: 19916-73-5
CID: 4578
Formula: C12H11N5O
MW: 241.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight241.25
XLogP31.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass241.09635999
Monoisotopic Mass241.09635999
Topological Polar Surface Area89.7 Ų
Heavy Atom Count18
Formal Charge0
Complexity271
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-W002585-01O6-Benzylguanine
A13706-50O6-Benzylguanine 50mg
A13706-10O6-Benzylguanine 10mg
HY-W002585R-01O6-Benzylguanine (Standard)
A13706-25O6-Benzylguanine 25mg
A13706-5O6-Benzylguanine 5mg
A13706-500O6-Benzylguanine 500mg
A13706-100O6-Benzylguanine 100mg

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