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Tonapofylline

CAT: 0804-HY-14873-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14873-03Size:10 mg
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Description
Tonapofylline (BG 9928) is an orally active and selective adenosine A1 receptor antagonist with a Ki of 7.4 nM for human adenosine A1 receptor (hA1), which displays 915-fold selectivity versus human adenosine A2A receptor and 12-fold selectivity versus human adenosine A2B receptor and is used in development for the treatment of heart failure[1][2].
CAS Number
340021-17-2
Product Name Alternative
BG 9928
UNSPSC
12352005
Target
Adenosine Receptor
Type
Reference compound
Related Pathways
GPCR/G Protein
Applications
Neuroscience-Neuromodulation
Field of Research
Metabolic Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/tonapofylline.html
Purity
98.0
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(O)CCC1(CC2)CCC2(C(N3)=NC(N(CCC)C(N4CCC)=O)=C3C4=O)CC1
Molecular Formula
C22H32N4O4
Molecular Weight
416.51
References & Citations
[1]Kiesman WF, et al. Potent and orally bioavailable 8-bicyclo[2.2.2]octylxanthines as adenosine A1 receptor antagonists. J Med Chem. 2006 Nov 30;49 (24) :7119-31.|[2]Ensor CR, et al. Tonapofylline: a selective adenosine-1 receptor antagonist for the treatment of heart failure. Expert Opin Pharmacother. 2010 Oct;11 (14) :2405-15.|[3]Gill A, et al. Protective effect of tonapofylline (BG9928), an adenosine A1 receptor antagonist, against NSC 119875-induced acute kidney injury in rats. Am J Nephrol. 2009;30 (6) :521-6.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3

Chemical Information

Tonapofylline

Tonapofylline is an oxopurine.

CAS Number340021-17-2
PubChem CID216466
IUPAC Name3-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)-1-bicyclo[2.2.2]octanyl]propanoic acid
Molecular FormulaC22H32N4O4
Molecular Weight416.5
XLogP4.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count30
Formal Charge0
Complexity687
SMILES
CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CCC(CC3)(CC4)CCC(=O)O
InChI
InChI=1S/C22H32N4O4/c1-3-13-25-17-16(18(29)26(14-4-2)20(25)30)23-19(24-17)22-10-7-21(8-11-22,9-12-22)6-5-15(27)28/h3-14H2,1-2H3,(H,23,24)(H,27,28)
InChIKey
ZWTVVWUOTJRXKM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tonapofylline
CAS: 340021-17-2
CID: 216466
Formula: C22H32N4O4
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP34.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass416.24235551
Monoisotopic Mass416.24235551
Topological Polar Surface Area107 Ų
Heavy Atom Count30
Formal Charge0
Complexity687
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

Alternative Products

CatalogName
T17117-01Tonapofylline
A21328-100Tonapofylline 100mg
A21328-50Tonapofylline 50mg
A21328-5Tonapofylline 5mg
A21328-1Tonapofylline 1mg
A21328-25Tonapofylline 25mg
A21328-10Tonapofylline 10mg
A21328-10mM-DTonapofylline 10mM * 1mL in DMSO

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