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AF-353 (hydrochloride)

CAT: 0804-HY-14483A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14483A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
AF-353 hydrochloride is a potent, selective and orally bioavailable P2X3/P2X2/3 receptor antagonist, with a pIC50 of 8.0 for both human and rat P2X3, and with a pIC50 of 7.3 for human P2X2/3[1][2].
CAS Number
927887-18-1
Product Name Alternative
Ro-4 (hydrochloride)
UNSPSC
12352005
Target
P2X Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/af-353-hydrochloride.html
Smiles
IC1=C(OC)C=C(C(C)C)C(OC2=CN=C(N)N=C2N)=C1.Cl
Molecular Formula
C14H18ClIN4O2
Molecular Weight
436.68
References & Citations
[1]Gever JR, et al. AF-353, a novel, potent and orally bioavailable P2X3/P2X2/3 receptor antagonist. Br J Pharmacol. 2010 Jul;160 (6) :1387-1398.|[2]Munoz A, et al. Modulation of bladder afferent signals in normal and spinal cord-injured rats by purinergic P2X3 and P2X2/3receptors. BJU Int. 2012 Oct;110 (8 Pt B) :E409-414.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

AF-353 hydrochloride
CAS Number927887-18-1
PubChem CID46837686
IUPAC Name5-(5-iodo-4-methoxy-2-propan-2-ylphenoxy)pyrimidine-2,4-diamine;hydrochloride
Molecular FormulaC14H18ClIN4O2
Molecular Weight436.67
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count22
Formal Charge0
Complexity334
SMILES
CC(C)C1=CC(=C(C=C1OC2=CN=C(N=C2N)N)I)OC.Cl
InChI
InChI=1S/C14H17IN4O2.ClH/c1-7(2)8-4-11(20-3)9(15)5-10(8)21-12-6-18-14(17)19-13(12)16;/h4-7H,1-3H3,(H4,16,17,18,19);1H
InChIKey
QRBBKDZPXABQPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of AF-353 hydrochloride
CAS: 927887-18-1
CID: 46837686
Formula: C14H18ClIN4O2
MW: 436.67
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight436.67
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass436.01630
Monoisotopic Mass436.01630
Topological Polar Surface Area96.3 Ų
Heavy Atom Count22
Formal Charge0
Complexity334
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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