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8-Bromo-2'-deoxyadenosine

CAT: 0804-HY-W013052-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W013052-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
8-Bromo-2'-deoxyadenosine is a purine nucleoside analog. Purine nucleoside analogs have broad antitumor activity targeting indolent lymphoid malignancies. Anticancer mechanisms in this process rely on inhibition of DNA synthesis, induction of apoptosis, etc[1].
CAS Number
14985-44-5
Product Name Alternative
8-Bromo-9- (2-deoxypentofuranosyl) -9H-purin-6-amine
UNSPSC
12352005
Hazard Statement
H302
Target
Nucleoside Antimetabolite/Analog
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/8-bromo-2-deoxyadenosine.html
Concentration
10mM
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
OC[C@@H]1[C@@H](O)C[C@H](N2C(Br)=NC3=C2N=CN=C3N)O1
Molecular Formula
C10H12BrN5O3
Molecular Weight
330.14
Precautions
H302
References & Citations
[1]Robak T, Robak P. Purine nucleoside analogs in the treatment of rarer chronic lymphoid leukemias. Curr Pharm Des. 2012;18 (23) :3373-88.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

8-Bromo-2'-deoxyadenosine
CAS Number14985-44-5
PubChem CID96547
IUPAC Name(2R,3S,5R)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
Molecular FormulaC10H12BrN5O3
Molecular Weight330.14
XLogP0.5
Topological Polar Surface Area119
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count19
Formal Charge0
Complexity338
SMILES
C1[C@@H]([C@H](O[C@H]1N2C3=NC=NC(=C3N=C2Br)N)CO)O
InChI
InChI=1S/C10H12BrN5O3/c11-10-15-7-8(12)13-3-14-9(7)16(10)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,13,14)/t4-,5+,6+/m0/s1
InChIKey
NJBIVXMQFIQOGE-KVQBGUIXSA-N
Chemical Structure
2D Structure
2D structure of 8-Bromo-2'-deoxyadenosine
CAS: 14985-44-5
CID: 96547
Formula: C10H12BrN5O3
MW: 330.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.14
XLogP30.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass329.01235
Monoisotopic Mass329.01235
Topological Polar Surface Area119 Ų
Heavy Atom Count19
Formal Charge0
Complexity338
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
295423-018-Bromo-2'-deoxyadenosine
1623578-Bromo-2’-deoxyadenosine
B 027-508- Bromo- 2'- deoxyadenosine (8-Br-dAdo)
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MBS58266682-Bromo-2'-deoxyadenosine
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