Products for Research Use Only

ABT-702

CAT: 0013-GTR19257491-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257491-02Size:5 mg
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Description
ABT-702 is an orally active, competitive, and reversible non-nucleoside adenosine kinase (AK) inhibitor with an IC50 value of 1.7 nM, exhibiting analgesic and anti-inflammatory properties, and effectively reducing acute thermal pain in mice.
CAS Number
214697-26-4
Product Name Alternative
ABT702
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.57% (May vary between batches)
Smiles
BrC1=CC=CC (=C1) C=2C=C (N=C3N=CN=C (N) C32) C=4C=NC (=CC4) N5CCOCC5
Molecular Formula
C22H19BrN6O
Molecular Weight
463.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Abt-702

5-(3-bromophenyl)-7-[6-(4-morpholinyl)-3-pyridinyl]-4-pyrido[2,3-d]pyrimidinamine is a member of bipyridines.

CAS Number214697-26-4
PubChem CID1973
IUPAC Name5-(3-bromophenyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-4-amine
Molecular FormulaC22H19BrN6O
Molecular Weight463.3
XLogP3.4
Topological Polar Surface Area90.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity564
SMILES
C1COCCN1C2=NC=C(C=C2)C3=NC4=NC=NC(=C4C(=C3)C5=CC(=CC=C5)Br)N
InChI
InChI=1S/C22H19BrN6O/c23-16-3-1-2-14(10-16)17-11-18(28-22-20(17)21(24)26-13-27-22)15-4-5-19(25-12-15)29-6-8-30-9-7-29/h1-5,10-13H,6-9H2,(H2,24,26,27,28)
InChIKey
RQCXKDWOCUJWQZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Abt-702
CAS: 214697-26-4
CID: 1973
Formula: C22H19BrN6O
MW: 463.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight463.3
XLogP33.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass462.08037
Monoisotopic Mass462.08037
Topological Polar Surface Area90.1 Ų
Heavy Atom Count30
Formal Charge0
Complexity564
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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