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ABT-702

CAT: 0804-HY-112482-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112482-01Size:5 mg
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Description
ABT-702 is a potent, orally active, and selective adenosine kinase (AK) inhibitor with an IC50 of 1.7 nM. ABT-702 shows >1300-fold selectivity for AK over other biological targets, including cyclooxygenases-1 and -2. ABT-702 attenuates inflammation in diabetic retinopathy by increasing free adenosine levels. ABT-702 shows analgesic and anti-inflammatory effects in vivo. ABT-702 can be used for diabetic retinopathy research[1][2][3].
CAS Number
214697-26-4
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Adenosine Kinase; Adenosine Receptor
Related Pathways
GPCR/G Protein; Metabolic Enzyme/Protease; Neuronal Signaling
Applications
COVID-19-immunoregulation
Field of Research
Neurological Disease; Inflammation/Immunology
Purity
99.61
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
BrC1=CC=CC(C2=C3C(N)=NC=NC3=NC(C4=CC=C(N5CCOCC5)N=C4)=C2)=C1
Molecular Formula
C22H19BrN6O
Molecular Weight
463.33
Precautions
H302, H315, H319, H335
References & Citations
[1]Jarvis MF, et al. ABT-702 (4-amino-5- (3-bromophenyl) -7- (6-morpholinopyridin-3-yl) pyrido[2, 3-d]pyrimidine), a novel orally effective adenosine kinase inhibitor with analgesic and anti-inflammatory properties: I. In vitro characterization and acute antinociceptive effects in the mouse. J Pharmacol Exp Ther. 2000 Dec;295 (3) :1156-64.|[2]Parkinson FE, et al. The Effect of Endogenous Adenosine on Neuronal Activity in Rats: An FDG PET Study. J Neuroimaging. 2016 Jul;26 (4) :403-5.|[3]Elsherbiny NM, et al. ABT-702, an adenosine kinase inhibitor, attenuates inflammation in diabetic retinopathy. Life Sci. 2013 Jul 30;93 (2-3) :78-88.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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...
View on PubChemRaw 3D data
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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