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TAK-733

CAS No.:
1035555-63-5
Catalog Number:
AG008TJT
Molecular Formula:
C17H15F2IN4O4
Molecular Weight:
504.2267
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$122
- +
5mg
99%
1 week
United States
$246
- +
10mg
99%
1 week
United States
$407
- +
50mg
99%
1 week
United States
$1090
- +
Product Description
Catalog Number:
AG008TJT
Chemical Name:
TAK-733
CAS Number:
1035555-63-5
Molecular Formula:
C17H15F2IN4O4
Molecular Weight:
504.2267
MDL Number:
MFCD24386349
IUPAC Name:
3-[(2R)-2,3-dihydroxypropyl]-6-fluoro-5-(2-fluoro-4-iodoanilino)-8-methylpyrido[2,3-d]pyrimidine-4,7-dione
InChI:
InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
InChI Key:
RCLQNICOARASSR-SECBINFHSA-N
SMILES:
OC[C@@H](Cn1cnc2c(c1=O)c(Nc1ccc(cc1F)I)c(c(=O)n2C)F)O
UNII:
5J61HSP0QJ
Properties
Complexity:
772  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
504.011g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
504.232g/mol
Monoisotopic Mass:
504.011g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
A phase I dose-escalation study of TAK-733, an investigational oral MEK inhibitor, in patients with advanced solid tumors. Investigational new drugs 20170101
Identification of potent Yes1 kinase inhibitors using a library screening approach. Bioorganic & medicinal chemistry letters 20130801
MEK and the inhibitors: from bench to bedside. Journal of hematology & oncology 20130101
Discovery of TAK-733, a potent and selective MEK allosteric site inhibitor for the treatment of cancer. Bioorganic & medicinal chemistry letters 20110301
Properties