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Home > Fluorides > 847925-91-1
847925-91-1 | N1-[(7S)-6,7-Dihydro-6-oxo-5H-dibenz[b,d]azepin-7-yl]-2,2-dimethyl-N3-(2,2,3,3,3-pentafluoropropyl)propanediamide
CAS No: 847925-91-1 Catalog No: AG003ACA MDL No:MFCD18384976
Product Description
Catalog Number:
AG003ACA
Chemical Name:
N1-[(7S)-6,7-Dihydro-6-oxo-5H-dibenz[b,d]azepin-7-yl]-2,2-dimethyl-N3-(2,2,3,3,3-pentafluoropropyl)propanediamide
CAS Number:
847925-91-1
Molecular Formula:
C22H20F5N3O3
Molecular Weight:
469.4045
MDL Number:
MFCD18384976
IUPAC Name:
2,2-dimethyl-N-[(7S)-6-oxo-5,7-dihydrobenzo[d][1]benzazepin-7-yl]-N'-(2,2,3,3,3-pentafluoropropyl)propanediamide
InChI:
InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1
InChI Key:
OJPLJFIFUQPSJR-INIZCTEOSA-N
SMILES:
O=C1Nc2ccccc2c2c([C@@H]1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2
UNII:
KK8645V7LE
Properties
Complexity:
771
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
469.142g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
469.412g/mol
Monoisotopic Mass:
469.142g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
Literature
| Title | Journal |
|---|---|
| Identification of potent Yes1 kinase inhibitors using a library screening approach. | Bioorganic & medicinal chemistry letters 20130801 |
| Phase I study of RO4929097, a gamma secretase inhibitor of Notch signaling, in patients with refractory metastatic or locally advanced solid tumors. | Journal of clinical oncology : official journal of the American Society of Clinical Oncology 20120701 |
| Initial testing (stage 1) by the pediatric preclinical testing program of RO4929097, a γ-secretase inhibitor targeting notch signaling. | Pediatric blood & cancer 20120501 |
| A phase II study of RO4929097 in metastatic colorectal cancer. | European journal of cancer (Oxford, England : 1990) 20120501 |
| High tumor levels of IL6 and IL8 abrogate preclinical efficacy of the γ-secretase inhibitor, RO4929097. | Molecular oncology 20110601 |
| Validation and implementation of a liquid chromatography/tandem mass spectrometry assay for quantitation of the total and unbound RO4929097, a γ-secretase inhibitor targeting Notch signaling, in human plasma. | Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20110601 |
| The novel gamma secretase inhibitor RO4929097 reduces the tumor initiating potential of melanoma. | PloS one 20110101 |
| Preclinical profile of a potent gamma-secretase inhibitor targeting notch signaling with in vivo efficacy and pharmacodynamic properties. | Cancer research 20091001 |
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