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Vismodegib

Also known as 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide, Erivedge, HhAntag691

CAS 879085-55-9Formula C19H14Cl2N2O3SMolar mass 421.31 g/molEC 806-752-3
GHS signal word: Danger. Pictograms: Harmful or irritant, Serious health hazard, Hazardous to the environment 98 suppliers listed Drug substance
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Vismodegib chemical structure, C19H14Cl2N2O3S, CAS 879085-55-9
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
879085-55-9
Formula
C19H14Cl2N2O3S
Appearance
Crystalline
Solubility
In water, solubility is pH dependent wtih 0.1 mg/mL at pH 7 and 0.99 mg/mL at pH 11
HS code
293339
Category
Pharmaceuticals and APIs
Illustrative photo, drums, an IBC tote and sacks in a chemical warehouse in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Vismodegib?

Plain description, key identifiers and synonyms

Vismodegib is a benzamide obtained by formal condensation between the carboxy group of 2-chloro-4-(methylsulfonyl)benzoic acid and the anilino group of 4-chloro-3-(pyridin-2-yl)aniline. Used for the treatment metastatic basal cell carcinoma. It has a role as a Hedgehog signaling pathway inhibitor, an antineoplastic agent, a teratogenic agent and a SMO receptor antagonist. It is a member of benzamides, a member of pyridines, a sulfone and a member of monochlorobenzenes.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
CAS number
879085-55-9 CAS number cross-checked
EC number
806-752-3
Molecular formula
C19H14Cl2N2O3S
UNII
25X868M3DS
MDL number
MFCD12407408
InChIKey
BPQMGSKTAYIVFO-UHFFFAOYSA-N
InChI
InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)
SMILES (canonical and isomeric)
CS(=O)(=O)C1=CC(=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=CC=CC=N3)Cl

Synonyms

  • 2-chloro-N-(4-chloro-3-(pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
  • Erivedge
  • HhAntag691
  • vismodegibum
  • 2-chloro-N-(4-chloro-3-pyridin-2-ylphenyl)-4-methylsulfonylbenzamide
  • 2-chloro-N-[4-chloro-3-(pyridin-2-yl)phenyl]-4-(methylsulfonyl)benzamide
  • Benzamide, 2-chloro-N-(4-chloro-3-(2-pyridinyl)phenyl)-4-(methylsulfonyl)-
  • 2-Chloro-N-(4-chloro-3-pyridin-2-yl)phenyl)-4-(methylsulfonyl)benzamide
  • Benzamide, 2-chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)-
  • Hedgehog Antagonist GDC-0449
  • Vismodegib (GDC-0449)
  • GDC 0449
  • 2-Chloro-N-[4-chloro-3-(2-pyridinyl)phenyl]-4-(methylsulfonyl)benzamide
  • 2-chloro-N-(4-chloro-3-pyridin-2-yl-phenyl)-4-methanesulfonyl-benzamide
  • 2-Chloranyl-~{n}-(4-Chloranyl-3-Pyridin-2-Yl-Phenyl)-4-Methylsulfonyl-Benzamide
  • Erivedge (TN)
  • C19H14Cl2N2O3S
  • VIS
  • Hh-Antag691
  • HhAntag 691
  • Vismodegib, free base
  • methanesulfonylbenzamide
  • Vismodegib (Standard)
  • Vismodegib (USAN/INN)
  • Vismodegib, GDC-0449
Show all 28 synonyms
  • Vismodegib (GDC-0449)?
  • 2-chloro-N-[4-chloro-3-(2-pyridyl)phenyl]-4-methylsulfonyl-benzamide
  • GDC-0449,Vismodegib, HhAntag691

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

Appearance
Crystallineexp.
Solubility
In water, solubility is pH dependent wtih 0.1 mg/mL at pH 7 and 0.99 mg/mL at pH 11exp.

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
421.31 g/molcalc.
Exact mass
420.0102 Dacalc.
LogP (octanol/water)
4.71calc.
Topological polar surface area
76.13 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
4calc.
Rotatable bonds
4calc.
Heavy atoms
27calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.05calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)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(Nc1cccc(-c2ccccn2)c1)c1ccccc1

O=C(Nc1cccc(-c2ccccn2)c1)c1ccccc1

3 rings, 21 atoms.

14 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard
GHS09: Hazardous to the environment
Hazardous to the environment

Hazard statements

  • H302 + H312 + H332Harmful if swallowed. Harmful in contact with skin. Harmful if inhaled.
  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H360May damage fertility or the unborn child.
  • H361dSuspected of damaging the unborn child.
  • H373May cause damage to organs through prolonged or repeated exposure.
  • H400Very toxic to aquatic life.
  • H410Very toxic to aquatic life with long lasting effects.
Precautionary statements (25)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • 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.
  • P273Avoid release to the environment.
  • 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.
  • P317Get medical help.
  • P318If exposed or concerned, get medical advice.
  • 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.
  • P391Collect spillage.
  • 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

Vismodegib suppliers

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Where suppliers are based

98 suppliers in 17 countries

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Vismodegib 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

Antineoplastic.

Roles

  • Hedgehog signaling pathway inhibitor
  • SMO receptor antagonist
  • aetiopathogenetic role
  • antagonist
  • antifibrotic agent
  • antineoplastic agent
  • enzyme inhibitor
  • pathway inhibitor
  • pharmaceutical
  • teratogenic agent

Pharmacology

Vismodegib is a Hedgehog Pathway Inhibitor. The mechanism of action of vismodegib 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 Vismodegib is traded under.

HS 2933.39Indicative HS code

Heterocyclic compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure…

World exports in 2024
$9.16B
−17.9% vs 2023, imports $10.6B
2019 to 2024
Top exporters
  1. China21.5%
  2. India * partner reported12.3%
  3. Ireland11.6%
Top importers
  1. Germany14.2%
  2. United States12.8%
  3. Brazil10.1%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Vismodegib?

Vismodegib is a benzamide obtained by formal condensation between the carboxy group of 2-chloro-4-(methylsulfonyl)benzoic acid and the anilino group of 4-chloro-3-(pyridin-2-yl)aniline. Used for the treatment metastatic basal cell carcinoma.

What is the CAS number of Vismodegib?

The CAS registry number of Vismodegib is 879085-55-9.

What is the molecular formula and weight of Vismodegib?

The molecular formula of Vismodegib is C19H14Cl2N2O3S and its molar mass is 421.31 g/mol.

What is Vismodegib used for?

Antineoplastic.

Is Vismodegib hazardous?

Vismodegib carries the GHS signal word "Danger". Main hazards: harmful if swallowed. harmful in contact with skin. harmful if inhaled, harmful if swallowed, causes skin irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Vismodegib?

Vismodegib is usually classified under HS code 293339 (Compounds containing an unfused pyridine ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Vismodegib?

CompoundList lists 98 suppliers of Vismodegib in China, United States, Germany, India and 13 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Vismodegib in India?

5 suppliers in India list Vismodegib on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Vismodegib?

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

Guides for buyers

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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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