ChemicalBook--->CAS DataBase List--->956697-53-3

956697-53-3

956697-53-3 Structure

956697-53-3 Structure
IdentificationBack Directory
[Name]

NVP-LDE225
[CAS]

956697-53-3
[Synonyms]

CS-65
LDE225
AZP-577
Sonidegib
NVP-LDE225
Erismodegib
Sonidegib HCL
SONIDEGIB(LDE225)
LDE225 (NVP-LDE225)
NVP-LDE225 USP/EP/BP
Erismodegib (LDE225)
NVP-LDE225,Sonidegib
Sonidegib /Erismodegib
Sonidegib (NVP-LDE225)
NVP-LDE225/erisModegib
ERISMODEGIB,NVP-LDE225
LDE225 (NVP-LDE225,Sonidegib)
NVP-LDE225(LDE225,ErisModegib)
Sonidegib (LDE-225,NVP-LDE225)
Erismodegib Diphosphate,LDE225
LDE225 (NVP-LDE225,ErisModegib)
Sonidegib (Erismodegib, NVP-LDE225)
LDE225 (NVP-LDE225,ERISMODEGIB);NVP-LDE225
N-(6-((2R,6S)-2,6-Dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)biphenyl-3-ca
N-(6-((2S,6R)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)biphenyl-3-carboxamide
N-(6-((2R,6S)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4,-(trifluoromethoxy)-[1,1,-biphenyl]-3-carboxamide
N-[6-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-3-pyridinyl]-2-yl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide
rel-N-[6-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide
[1,1'-Biphenyl]-3-carboxaMide, N-[6-[(2R,6S)-2,6-diMethyl-4-Morpholinyl]-3-pyridinyl]-2-Methyl-4'-(trifluoroMethoxy)-, rel-
rel-N-[6-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide LDE225 (NVP-LDE225,Erismodegib)
[EINECS(EC#)]

1312995-182-4
[Molecular Formula]

C26H26F3N3O3
[MDL Number]

MFCD16038928
[MOL File]

956697-53-3.mol
[Molecular Weight]

485.498
Chemical PropertiesBack Directory
[Melting point ]

154-157°C
[Boiling point ]

544.5±50.0 °C(Predicted)
[density ]

1.255
[storage temp. ]

Refrigerator
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

White solid.
[pka]

9.53±0.70(Predicted)
[color ]

Light Purple
Safety DataBack Directory
[HS Code ]

2934999090
Hazard InformationBack Directory
[Uses]

A potent, selective and orally bioavailable Smoothened (SMO) antagonist; it inhibits hedgehog (Hh) signaling pathway via antagonism of the Smoothened receptor (SMO). Antineoplastic.
[Definition]

ChEBI: A member of the classo of biphenyls that is the amide obtained by formal condensation of the carboxy group of 2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxylic acid with the amino group of 6-(2,6-dimethylmorpholin-4-yl)pyridin-3-amine. Used (as it phosphate salt) for treatment of locally advanced basal cell carcinoma.
[Biological Activity]

Sonidegib, also known as LDE-225, is a potent and selective smoothened (Smo) antagonist.
[target]

human Hedgehog
[storage]

Store at -20°C
[References]

[1] shifeng pan, xu wu, jiqing jiang, et al. discovery of nvp-lde225, a potent and selective smoothened antagonist. acs med. chem. lett. 2010, 1: 130–134.
Spectrum DetailBack Directory
[Spectrum Detail]

NVP-LDE225(956697-53-3)1HNMR
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