Erismodegib diphosphate, Inhibitor

Erismodegib diphosphate

Cat. Num. AAA5755083

• Purity: 99.86%
• Synonyms: Erismodegib diphosphate; Sonidegib diphosphate; LDE225 diphosphate; NVP-LDE 225 diphosphate; inhibitor

• Purity/Purification: 99.86%
• Form/Format: Solid. Powder

• Solubility: DMSO: 99mg/mL (145.27mM); H2O: 0.25mg/mL (0.37mM) Need ultrasonic; (<1mg/ml refers to the product slightly soluble or insoluble)
• Formula: C26H32F3N3O11P2
• SMILES: OP(O)(O)=O.OP(O)(O)=O.C[C@H]1CN(C[C@@H](C)O1)c1ccc(NC(=O)c2cccc(-c3ccc(OC(F)(F)F)cc3)c2C)cn1
• CAS Number: 1218778-77-8
• Target & IC50: mSmo: ic50 1.3nM; hSmo: ic50 2.5nM
• In Vitro: Erismodegib diphosphate is a weak base with a measured pKa of 4.2 and exhibits relatively poor aqueous solubility. Erismodegib diphosphate demonstrates dose-related antitumor activity after 10 days of oral administration of a suspension of the diphosphate salt, in the subcutaneous Ptch+/-p53-/- medulloblastoma allograft mouse model. Bone marrow cells and spleen cells from a subset of treated mice are transplanted into secondary recipient mice. Erismodegib diphosphate (5mg/kg/day; once daily) obviously inhibits tumor growth, corresponding to a T/C value of 33% (p<0.05 as compared to vehicle controls). Erismodegib affords 51 and 83% regression respectively when dosed at 10 and 20mg/kg/day qd [1]. Transplantation of either bone marrow (BM) or spleen cells from mice treated with Erismodegib diphosphate+ Nilotinib results in reduced white cell count (WCC) and reduces leukaemia development in secondary recipients compared to Erismodegib or Nilotinib alone[2].
• Preparation and Storage: Store at -20 degree C for 3 years powder; -80 degree C for 2 years in solvent

Structure

Related Product Information for Erismodegib diphosphate, inhibitor

Erismodegib diphosphate is an effective and selective Smo antagonist (IC50: 1.3nM and 2.5nM for mouse and human Smo in a binding assay, respectively).

Product Categories/Family for Erismodegib diphosphate, inhibitor

Stem Cells

References

Pan S, et al. Discovery of NVP-LDE225, a Potent and Selective Smoothened Antagonist. ACS Med Chem Lett. 2010 Mar 16;1(3):130-4.
Pan S, et al. Discovery of NVP-LDE225, a Potent and Selective Smoothened Antagonist. ACS Med Chem Lett. 2010 Mar 16;1(3):130-4.
Irvine DA, et al. Deregulated hedgehog pathway signaling is inhibited by the smoothened antagonist LDE225 (Sonidegib) in chronic phase chronic myeloid leukaemia. Sci Rep. 2016 May 9;6:25476.
Irvine DA, et al. Deregulated hedgehog pathway signaling is inhibited by the smoothened antagonist LDE225 (Sonidegib) in chronic phase chronic myeloid leukaemia. Sci Rep. 2016 May 9;6:25476.
Ma W, et al. Reduced Smoothened level rescued Abeta-induced memory deficits and neuronal inflammation in animal models of Alzheimer's disease. J Genet Genomics. 2018 May 20;45(5):237-246.
Ma W, et al. Reduced Smoothened level rescued Abeta-induced memory deficits and neuronal inflammation in animal models of Alzheimer's disease. J Genet Genomics. 2018 May 20;45(5):237-246.