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ST-1535

CAT: 0013-GTR19172213-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172213-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ST-1535
CAS Number
496955-42-1
Product Name Alternative
Adenosine Receptor, AdenosineReceptor, A2A, ST1535, ST-1535, ST 1535
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.63% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (3.67 mM) ; DMSO:9 mg/mL (33.05 mM)
Smiles
CCCCc1nc (N) c2nc (-n3nccn3) n (C) c2n1
Molecular Formula
C12H16N8
Molecular Weight
272.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ST-1535
CAS Number496955-42-1
PubChem CID9860294
IUPAC Name2-butyl-9-methyl-8-(triazol-2-yl)purin-6-amine
Molecular FormulaC12H16N8
Molecular Weight272.31
XLogP1.8
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity321
SMILES
CCCCC1=NC(=C2C(=N1)N(C(=N2)N3N=CC=N3)C)N
InChI
InChI=1S/C12H16N8/c1-3-4-5-8-16-10(13)9-11(17-8)19(2)12(18-9)20-14-6-7-15-20/h6-7H,3-5H2,1-2H3,(H2,13,16,17)
InChIKey
CYYQMAWUIRPCNW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ST-1535
CAS: 496955-42-1
CID: 9860294
Formula: C12H16N8
MW: 272.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight272.31
XLogP31.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass272.14979254
Monoisotopic Mass272.14979254
Topological Polar Surface Area100 Ų
Heavy Atom Count20
Formal Charge0
Complexity321
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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