A Smo antagonist
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LDE225 (phosphate)

Item No. 16263

Product Insert (PDF)Safety Data Sheet (SDS) (PDF)
Technical Information
Formal Name
rel-N-[6-[(2R,6S)-2,6-dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide, diphosphate
CAS Number
1218778-77-8
Synonyms
  • Erismodegib
  • NVP-LDE225
  • Sonidegib
Molecular Formula
C26H26F3N3O3 • 2H3PO4
Formula Weight
681.5
Purity
≥98%
Formulation
A crystalline solid
Solubility(Learn about Variance in Solubility)
DMF: 10 mg/mlDMSO: 10 mg/mlEthanol: 10 mg/mlEthanol:PBS (pH 7.2) (1:2): 0.3 mg/ml
λmax
276 nm
SMILES
C[C@@H]1CN(C2=NC=C(NC(C3=CC=CC(C4=CC=C(OC(F)(F)F)C=C4)=C3C)=O)C=C2)C[C@H](C)O1.OP(O)(O)=O.OP(O)(O)=O
InChi Code
InChI=1S/C26H26F3N3O3.2H3O4P/c1-16-14-32(15-17(2)34-16)24-12-9-20(13-30-24)31-25(33)23-6-4-5-22(18(23)3)19-7-10-21(11-8-19)35-26(27,28)29;2*1-5(2,3)4/h4-13,16-17H,14-15H2,1-3H3,(H,31,33);2*(H3,1,2,3,4)/t16-,17+;;
InChi Key
RWIVSVMMGFFZIJ-VWDRLOGHSA-N
Shipping & Storage Information
Storage
-20°C
Shipping
Room temperature in continental US; may vary elsewhere
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    1 mg

    $36

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    5 mg

    $128

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    10 mg

    $219

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    25 mg

    $502

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    Cayman Chemical
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    Product Description

    LDE225 is a smoothened (Smo) antagonist (IC50s = 1.3 and 2.5 nM for mouse and human Smo, respectively).1 In vivo, LDE225 (20 mg/kg per day) inhibits Gli1 mRNA expression and prevents tumor growth in an orthotopic Ptch+/- p53-/- medulloblastoma mouse allograft model. Formulations containing LDE225 have been used in the treatment of locally advanced basal cell carcinomas.

    WARNING This product is not for human or veterinary use.

    References & Product Citations
    Product Description References

    1. Pan, S., Wu, X., Jiang, J., et al. Discovery of NVP-LDE225, a potent and selective smoothened antagonist. ACS Med. Chem. Lett. 1(3), 130-134 (2010).