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8-Bromoadenine

CAT: 0013-GTR19247573-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19247573-02Size:50 mg
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Description
8-Bromoadenine (8-Bromo-9H-purin-6-amine) functions as a radiosensitizer for DNA and hinders the repair of single-strand breaks within cells. It is a brominated derivative of adenine and can be used to produce radioactive adenine by replacing bromine with deuterium.
CAS Number
6974-78-3
Field of Research
Cell Biology, Molecular Biology
Smiles
BrC1=NC2=C (N1) C (N) =NC=N2
Molecular Formula
C5H4BrN5
Molecular Weight
214.023
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

8-Bromo-9H-purin-6-amine

affects DNA repair

CAS Number6974-78-3
PubChem CID81457
IUPAC Name8-bromo-7H-purin-6-amine
Molecular FormulaC5H4BrN5
Molecular Weight214.02
XLogP0.8
Topological Polar Surface Area80.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity154
SMILES
C1=NC(=C2C(=N1)N=C(N2)Br)N
InChI
InChI=1S/C5H4BrN5/c6-5-10-2-3(7)8-1-9-4(2)11-5/h1H,(H3,7,8,9,10,11)
InChIKey
FVXHPCVBOXMRJP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Bromo-9H-purin-6-amine
CAS: 6974-78-3
CID: 81457
Formula: C5H4BrN5
MW: 214.02
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight214.02
XLogP30.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass212.96501
Monoisotopic Mass212.96501
Topological Polar Surface Area80.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity154
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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