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Pexidartinib

CAS No.:
1029044-16-3
Catalog Number:
AG0039N8
Molecular Formula:
C20H15ClF3N5
Molecular Weight:
417.8148
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$125
- +
10mg
99%
1 week
United States
$154
- +
50mg
99%
1 week
United States
$265
- +
100mg
99%
1 week
United States
$321
- +
200mg
99%
1 week
United States
$418
- +
500mg
99%
1 week
United States
$682
- +
1g
99%
1 week
United States
$1098
- +
2g
99%
1 week
United States
$1793
- +
5g
99%
1 week
United States
$3737
- +
10g
99%
1 week
United States
$5404
- +
20g
99%
1 week
United States
$9571
- +
Product Description
Catalog Number:
AG0039N8
Chemical Name:
Pexidartinib
CAS Number:
1029044-16-3
Molecular Formula:
C20H15ClF3N5
Molecular Weight:
417.8148
MDL Number:
MFCD28900745
IUPAC Name:
5-[(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]pyridin-2-amine
InChI:
InChI=1S/C20H15ClF3N5/c21-15-6-16-14(10-28-19(16)29-11-15)5-12-2-4-18(26-7-12)27-9-13-1-3-17(25-8-13)20(22,23)24/h1-4,6-8,10-11H,5,9H2,(H,26,27)(H,28,29)
InChI Key:
JGWRKYUXBBNENE-UHFFFAOYSA-N
SMILES:
Clc1cnc2c(c1)c(c[nH]2)Cc1ccc(nc1)NCc1ccc(nc1)C(F)(F)F
UNII:
6783M2LV5X
Properties
Complexity:
537  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
417.097g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
417.82g/mol
Monoisotopic Mass:
417.097g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Structure-Guided Blockade of CSF1R Kinase in Tenosynovial Giant-Cell Tumor. The New England journal of medicine 20150730
Synovial colony-stimulating factor-1 mRNA expression in diffuse pigmented villonodular synovitis. Clinical and experimental rheumatology 20110101
Molecular pathways involved in synovial cell inflammation and tumoral proliferation in diffuse pigmented villonodular synovitis. Autoimmunity reviews 20100901
Translocation and expression of CSF1 in pigmented villonodular synovitis, tenosynovial giant cell tumor, rheumatoid arthritis and other reactive synovitides. The American journal of surgical pathology 20070601
Properties