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Pharmaceuticals and APIs

Sonidegib

Also known as Erismodegib, LDE 225, NVP-LDE 225

CAS 956697-53-3Formula C26H26F3N3O3Molar mass 485.51 g/molEC 881-485-3
GHS signal word: Warning. Pictograms: Harmful or irritant 33 suppliers listed Drug substance
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Sonidegib chemical structure, C26H26F3N3O3, CAS 956697-53-3
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
956697-53-3
Formula
C26H26F3N3O3
Molar mass
485.51 g/mol
EC number
881-485-3
HS code
293499
Category
Pharmaceuticals and APIs

What is Sonidegib?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-2-methyl-3-[4-(trifluoromethoxy)phenyl]benzamide
CAS number
956697-53-3 CAS number cross-checkedOther or deprecated CAS: 1218778-76-7, 1218778-77-8
EC number
881-485-3
Molecular formula
C26H26F3N3O3
UNII
0RLU3VTK5M
MDL number
MFCD16038928
InChIKey
VZZJRYRQSPEMTK-CALCHBBNSA-N
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+
Canonical SMILES
Cc1c(C(=O)Nc2ccc(N3CC(C)OC(C)C3)nc2)cccc1-c1ccc(OC(F)(F)F)cc1
Isomeric 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

Synonyms

  • Erismodegib
  • LDE 225
  • NVP-LDE 225
  • sonidegibum
  • N-(6-((cis-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-4'-(trifluoromethoxy)biphenyl-3-carboxamide
  • N-[6-[(2S,6R)-2,6-dimethylmorpholin-4-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-
  • N-[6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl]-2-methyl-4'-(trifluoromethoxy)[1,1'-biphenyl]-3-carboxamide
  • N-{6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyridin-3-yl}-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide
  • N-(6-((2R,6S)-2,6-dimethylmorpholin-4-yl)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-(1,1'-biphenyl)-3-carboxamide
  • N-(6-((2S,6R)-2,6-dimethylmorpholin-4-yl)pyridin-3-yl)-2-methyl-3-(4-(trifluoromethoxy)phenyl)benzamide
  • N-(6-(cis-2,6-dimethylmorpholin-4-yl)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)(1,1'-biphenyl)-3-carboxamide
  • Smoothened Antagonist LDE225
  • Odomzo
  • LDE225 (NVP-LDE225,Erismodegib)
  • Sonidegib (LDE-225)
  • rel-N-[6-[(2R,6S)-2,6-Dimethyl-4-morpholinyl]-3-pyridinyl]-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide
  • N-(6-((2S,6R)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)biphenyl-3-carboxamide
  • N-(6-(cis-2,6-Dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide
  • N-(6-((2R,6S)-2,6-dimethylmorpholino)pyridin-3-yl)-2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxamide
  • Odomozo
  • Sonidegib (NVP-LDE225)
  • Sonidegib phospate
  • LDE225(NVP-LDE225)
Show all 30 synonyms
  • 956697-53-3 (free base)
  • LDE225 (NVP-LDE225, Erismodegib)
  • Sonidegib (USAN/INN)
  • erismodegib (deleted INN)
  • NVP-LDE225(Erismodegib)?

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
485.51 g/molcalc.
Exact mass
485.1926 Dacalc.
LogP (octanol/water)
5.82calc.
Topological polar surface area
63.69 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
35calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.31calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, O=C(Nc1ccc(N2CCOCC2)nc1)c1cccc(-c2ccccc2)c1

O=C(Nc1ccc(N2CCOCC2)nc1)c1cccc(-c2ccccc2)c1

4 rings, 27 atoms.

3 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (19)
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Sonidegib suppliers

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Where suppliers are based

33 suppliers in 7 countries

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Sonidegib price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Roles

  • Hedgehog signaling pathway inhibitor
  • SMO receptor antagonist
  • antagonist
  • antineoplastic agent
  • enzyme inhibitor
  • pathway inhibitor
  • pharmaceutical

Pharmacology

Sonidegib is a Hedgehog Pathway Inhibitor. The mechanism of action of sonidegib is as a Smoothened Receptor Antagonist.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Sonidegib is traded under.

HS 2934.99Indicative HS code

Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934

World exports in 2024
$26.7B
+15.0% vs 2023, imports $26.3B
2019 to 2024
Top exporters
  1. Ireland26.3%
  2. China15.7%
  3. Singapore10.3%
Top importers
  1. United States24.5%
  2. Germany23.1%
  3. Japan4.5%
Reported customs values in USD, not prices.Full trade data

The HS code shown for Sonidegib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Sonidegib, based on the data on this page

What is 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.

What is the CAS number of Sonidegib?

The CAS registry number of Sonidegib is 956697-53-3. Other or deprecated CAS numbers: 1218778-76-7, 1218778-77-8.

What is the molecular formula and weight of Sonidegib?

The molecular formula of Sonidegib is C26H26F3N3O3 and its molar mass is 485.51 g/mol.

What is Sonidegib used for?

Known uses and roles of Sonidegib include hedgehog signaling pathway inhibitor, smo receptor antagonist, antagonist, antineoplastic agent, enzyme inhibitor and 2 more.

Is Sonidegib hazardous?

Sonidegib carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Sonidegib?

Sonidegib is usually classified under HS code 293499 (Nucleic acids and their salts, whether or not chemically defined, other heterocyclic…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Sonidegib?

CompoundList lists 33 suppliers of Sonidegib in China, United States, Germany, Spain and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Sonidegib?

Suppliers quote Sonidegib on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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