Products for Research Use Only
RegisterLogin

Sonidegib

CAT: 0804-HY-16582A-07Size: 500 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-16582A-07Size:500 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Sonidegib (Erismodegib) is a potent and selective Smo antagonist with IC50 of 1.3 nM and 2.5 nM for mouse and human Smo in binding assay, respectively[1].
CAS Number
956697-53-3
Product Name Alternative
Erismodegib; LDE225; NVP-LDE225
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Smo
Type
Reference compound
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/lde225.html
Purity
99.94
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(C1=C(C)C(C(C=C2)=CC=C2OC(F)(F)F)=CC=C1)NC3=CC=C(N=C3)N4C[C@@H](C)O[C@@H](C)C4
Molecular Formula
C26H26F3N3O3
Molecular Weight
485.50
Precautions
H302, H315, H319, H335
References & Citations
[1]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.|[2]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.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched
Citation 01
BioRxiv. 2023 Nov 6:2023.11.03.565570.|bioRxiv. 2024 Jul 25.|bioRxiv. 2024 Nov 4:2024.10.08.617155.|bioRxiv. 2025 Oct 11.|Cell Physiol Biochem. 2018;47 (4) :1352-1364.|J Pathol. 2025 Nov 6.|SSRN. 2025 Jul 25.|Tissue Cell. 2024 Nov 28:92:102643.|J Genet Genomics. 2018 May 20;45 (5) :237-246.|Nat Med. 2018 Nov;24 (11) :1752-1761. |Patent. US20180263995A1.

Chemical Information

Sonidegib

Sonidegib is 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 its phosphate salt) for treatment of locally advanced basal cell carcinoma. It has a role as a Hedgehog signaling pathway inhibitor, an antineoplastic agent and a SMO receptor antagonist. It is a member of benzamides, a member of biphenyls, an aromatic ether, an organofluorine compound, an aminopyridine, a member of morpholines and a tertiary amino compound.

CAS Number956697-53-3
PubChem CID24775005
IUPAC NameN-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
Molecular FormulaC26H26F3N3O3
Molecular Weight485.5
XLogP5.8
Topological Polar Surface Area63.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity691
SMILES
C[C@@H]1CN(C[C@@H](O1)C)C2=NC=C(C=C2)NC(=O)C3=CC=CC(=C3C)C4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C26H26F3N3O3/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/h4-13,16-17H,14-15H2,1-3H3,(H,31,33)/t16-,17+
InChIKey
VZZJRYRQSPEMTK-CALCHBBNSA-N
Chemical Structure
2D Structure
2D structure of Sonidegib
CAS: 956697-53-3
CID: 24775005
Formula: C26H26F3N3O3
MW: 485.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight485.5
XLogP35.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass485.19262619
Monoisotopic Mass485.19262619
Topological Polar Surface Area63.7 Ų
Heavy Atom Count35
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
7826/10Sonidegib
BUP06240-01Sonidegib diphosphate
100942Sonidegib phosphate
ESS0500-01Sonidegib-D4
CS-O-32605Sonidegib M48

Popular Products