N-[6-[(2S,6R)-2,6-Dimethylmorpholin-4-yl]-3-pyridyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
LDE225
CAS: 956697-53-3
Molecular Formula: C26H26F3N3O3
N-[6-[(2S,6R)-2,6-Dimethylmorpholin-4-yl]-3-pyridyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide - Names and Identifiers
| Name | LDE225 |
| Synonyms | LDE225 Lde-225 Lde 225 Sonidegib NVP-LDE225 nvp-lde225 Nvp-lde 225 LDE225(NVP-LDE225) LDE225 (NVP-LDE225) ERISMODEGIB,NVP-LDE225 NVP-LDE225(LDE225,ErisModegib) LDE225 (NVP-LDE225,ErisModegib) LDE225 (NVP-LDE225, Erismodegib) N-[6-[(2S,6R)-2,6-Dimethylmorpholin-4-yl]-3-pyridyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide N-(6-[(2R,6S)-2,6-Dimethylmorpholin-4-yl]pyridin-3-yl)-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide N-{6-[(2R,6S)-2,6-Dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide N-(6-((2S,6R)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)biphenyl-3-carboxamide LDE 225 N-[6-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide N-{6-[(3R,4R,5S)-3-Hydroxy-4,5-dimethylpiperidin-1-yl]pyridin-3-yl}-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide [1,1'-Biphenyl]-3-carboxaMide, N-[6-[(2R,6S)-2,6-diMethyl-4-Morpholinyl]-3-pyridinyl]-2-Methyl-4'-(trifluoroMethoxy)-, rel- [1,1'-Biphenyl]-3-carboxamide, N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-, rel- Erismodegib rel-N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-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 LDE225 (NVP-LDE225,Erismodegib) |
| CAS | 956697-53-3 |
| EINECS | 1312995-182-4 |
N-[6-[(2S,6R)-2,6-Dimethylmorpholin-4-yl]-3-pyridyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide - Physico-chemical Properties
| Molecular Formula | C26H26F3N3O3 |
| Molar Mass | 485.5 |
| Density | 1.255 |
| Melting Point | 154-157°C |
| Boling Point | 544.5±50.0 °C(Predicted) |
| Flash Point | 283.113 °C |
| Solubility | DMSO >60 mg/mL Ethanol >60 mg/mL |
| Appearance | White solid. |
| Color | Light Purple |
| pKa | 9.53±0.70(Predicted) |
| Storage Condition | Refrigerator |
| In vitro study | Sonidegib (Erismodegib, NVP-LDE225) can inhibit the TM3 fluorescent reporter cell line treated with 1 nm-25 NM Hh agonist Ag1.5 at a dose of 0.6-0.8 μm. |
| In vivo study | Sonidegib (Erismodegib, NVP-LDE225) and mouse, rat and human plasma proteins have a strong binding capacity (>99%), while the dog and monkey plasma proteins have a moderate binding, the binding capacity was 77% and 85%, respectively. The PAMPA experiment demonstrated that LDE225 was able to achieve a permeability of 90.8 percent. In the gradient dilution test, LDE225 showed good oral drug efficiency in clinical species, with biological drug efficiency ranging from 69% to 102. LDE225 is weakly alkaline, pK a is only 4.20, and its water solubility is relatively weak. LDE225 was shown to have a dose-dependent antitumor activity. At a dose of 5 mg/kg/day, once a day, LDE225 significantly inhibited tumor growth, consistent with a T/C value of 33%. At doses of 10 mg/kg/day, once a day and 20 mg/kg/day, once a day, LDE225 was 51% and 83% effective in promoting tumor regression, respectively. Gli1 mRNA inhibition is associated with lde225-mediated tumor-plasma exposure. In an animal model of tumor transplantation, after four days of dosing, LDE225 was able to successfully cross the blood-brain barrier resulting in inhibition of tumor growth. De225 was able to significantly reduce tumor volume in Rip1-Tag2 mice by 95.7 percent. LDE225 reduces expression of interstitial marker genes in LDE225 treated mice. |
N-[6-[(2S,6R)-2,6-Dimethylmorpholin-4-yl]-3-pyridyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide - Introduction
LDE225 (NVP-LDE225,Erismodegib) is a Smoothened(Smo) antagonist that inhibits Hedgehog (Hh) signaling pathway with IC50 of 1.3 nM (mouse) and 2.5 nM (human), respectively.
Last Update：2022-10-16 17:30:21
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Product Name: LDE225 (NVP-LDE225,Erismodegib) Visit Supplier Webpage Request for quotationCAS: 956697-53-3
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Mobile: 18021002903
QQ: 3008007409
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