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Orteronel

CAS No.:
566939-85-3
Catalog Number:
AG00ECEF
Molecular Formula:
C18H17N3O2
Molecular Weight:
307.3465
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
≥98%
1 week
United States
$258
- +
10mg
≥98%
1 week
United States
$419
- +
25mg
≥98%
1 week
United States
$862
- +
50mg
99%
1 week
United States
$1032
- +
Product Description
Catalog Number:
AG00ECEF
Chemical Name:
Orteronel
CAS Number:
566939-85-3
Molecular Formula:
C18H17N3O2
Molecular Weight:
307.3465
MDL Number:
MFCD20528078
IUPAC Name:
6-[(7S)-7-hydroxy-5,6-dihydropyrrolo[1,2-c]imidazol-7-yl]-N-methylnaphthalene-2-carboxamide
InChI:
InChI=1S/C18H17N3O2/c1-19-17(22)14-3-2-13-9-15(5-4-12(13)8-14)18(23)6-7-21-11-20-10-16(18)21/h2-5,8-11,23H,6-7H2,1H3,(H,19,22)/t18-/m0/s1
InChI Key:
OZPFIJIOIVJZMN-SFHVURJKSA-N
SMILES:
CNC(=O)c1ccc2c(c1)ccc(c2)[C@@]1(O)CCn2c1cnc2
UNII:
UE5K2FNS92
Properties
Complexity:
471  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
307.132g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
307.353g/mol
Monoisotopic Mass:
307.132g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
Changing paradigms in management of metastatic Castration Resistant Prostate Cancer (mCRPC). BMC urology 20140101
Orteronel (TAK-700), a novel non-steroidal 17,20-lyase inhibitor: effects on steroid synthesis in human and monkey adrenal cells and serum steroid levels in cynomolgus monkeys. The Journal of steroid biochemistry and molecular biology 20120401
Discovery of orteronel (TAK-700), a naphthylmethylimidazole derivative, as a highly selective 17,20-lyase inhibitor with potential utility in the treatment of prostate cancer. Bioorganic & medicinal chemistry 20111101
CYP17 inhibitors for prostate cancer therapy. The Journal of steroid biochemistry and molecular biology 20110501
Properties