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426219-32-1 | 6-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]iMidazol-7-yl)-N-Methyl-2-naphthaMide
CAS No: 426219-32-1 Catalog No: AG00CM28 MDL No:
Product Description
Catalog Number:
AG00CM28
Chemical Name:
6-(7-hydroxy-6,7-dihydro-5H-pyrrolo[1,2-c]iMidazol-7-yl)-N-Methyl-2-naphthaMide
CAS Number:
426219-32-1
IUPAC Name:
6-(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)
InChI Key:
OZPFIJIOIVJZMN-UHFFFAOYSA-N
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
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 |
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