Name: Name:Nvp-lde225
Brand: AABLOCKS
SKU: AA0039GK
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0039GK

Chemical Name: Nvp-lde225

CAS Number: 956697-53-3

Molecular Formula: C26H26F3N3O3

Molecular Weight: 485.4981

MDL Number: MFCD16038928

SMILES: C[C@@H]1O[C@H](C)CN(C1)c1ccc(cn1)NC(=O)c1cccc(c1C)c1ccc(cc1)OC(F)(F)F

Properties

Complexity: 691

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 2

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 35

Hydrogen Bond Acceptor Count: 8

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 5

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 5.8

Literature fold

Title: Sonidegib: First Global Approval.

Journal: Drugs20150901

Title: Absorption, distribution, metabolism, and excretion (ADME) of ¹⁴C-sonidegib (LDE225) in healthy volunteers.

Journal: Cancer chemotherapy and pharmacology20140701

Title: Epigenetic targeting of Hedgehog pathway transcriptional output through BET bromodomain inhibition.

Journal: Nature medicine20140701

Title: Identification of potent Yes1 kinase inhibitors using a library screening approach.

Journal: Bioorganic & medicinal chemistry letters20130801

Title: Identification of a novel Smoothened antagonist that potently suppresses Hedgehog signaling.

Journal: Bioorganic & medicinal chemistry20121115

Title: Smoothened antagonists reverse taxane resistance in ovarian cancer.

Journal: Molecular cancer therapeutics20120701

Title: Hedgehog inhibition with the orally bioavailable Smo antagonist LDE225 represses tumor growth and prolongs survival in a transgenic mouse model of islet cell neoplasms.

Journal: Annals of surgery20111101

Title: Topical treatment of Basal cell carcinomas in nevoid Basal cell carcinoma syndrome with a smoothened inhibitor.

Journal: The Journal of investigative dermatology20110801

Title: Hedgehog fights back: mechanisms of acquired resistance against Smoothened antagonists.

Journal: Cancer research20110801

Title: Discovery of NVP-LDE225, a Potent and Selective Smoothened Antagonist.

Journal: ACS medicinal chemistry letters20100610

Title: 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.

Title: 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.

956697-53-3 | Nvp-lde225