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Ponatinib

CAS No.:
1254473-64-7
Catalog Number:
AG000NOR
Molecular Formula:
C21H19Cl2N5O2
Molecular Weight:
444.3139
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$140
- +
5mg
≥98%
1 week
United States
$307
- +
10mg
≥98%
1 week
United States
$432
- +
25mg
≥98%
1 week
United States
$557
- +
Product Description
Catalog Number:
AG000NOR
Chemical Name:
Ponatinib
CAS Number:
1254473-64-7
Molecular Formula:
C21H19Cl2N5O2
Molecular Weight:
444.3139
MDL Number:
MFCD22124884
IUPAC Name:
2-[4-[(E)-2-[5-[(1R)-1-(3,5-dichloropyridin-4-yl)ethoxy]-1H-indazol-3-yl]ethenyl]pyrazol-1-yl]ethanol
InChI:
InChI=1S/C21H19Cl2N5O2/c1-13(21-17(22)10-24-11-18(21)23)30-15-3-5-20-16(8-15)19(26-27-20)4-2-14-9-25-28(12-14)6-7-29/h2-5,8-13,29H,6-7H2,1H3,(H,26,27)/b4-2+/t13-/m1/s1
InChI Key:
GKJCVYLDJWTWQU-CXLRFSCWSA-N
SMILES:
OCCn1ncc(c1)/C=C/c1n[nH]c2c1cc(cc2)O[C@@H](c1c(Cl)cncc1Cl)C
UNII:
E9M363811V
Properties
Complexity:
576  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Exact Mass:
443.092g/mol
Formal Charge:
0
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
444.316g/mol
Monoisotopic Mass:
443.092g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
A novel, selective inhibitor of fibroblast growth factor receptors that shows a potent broad spectrum of antitumor activity in several tumor xenograft models. Molecular cancer therapeutics 20111101
Properties