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Panobinostat chemical structure, C21H23N3O2, CAS 404950-80-7
2D chemical structure

Key facts

What buyers check first

CAS number
404950-80-7
Formula
C21H23N3O2
Molar mass
349.43 g/mol
EC number
803-814-1
HS code
293399
Category
Oncology and immunology drugs

What is Panobinostat?

Plain description, key identifiers and synonyms

Panobinostat is a hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine. A histone deacetylase inhibitor used (as its lactate salt) in combination with bortezomib and dexamethasone for the treatment of multiple myeloma. It has a role as an antineoplastic agent, an angiogenesis modulating agent and an EC 3.5.1.98 (histone deacetylase) inhibitor. It is a member of cinnamamides, a hydroxamic acid, a methylindole and a secondary amino compound. It is a conjugate base of a panobinostat(1+).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
CAS number
404950-80-7 CAS number cross-checked
EC number
803-814-1
Molecular formula
C21H23N3O2
UNII
9647FM7Y3Z
MDL number
MFCD09833242
InChIKey
FPOHNWQLNRZRFC-ZHACJKMWSA-N
InChI
InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+
Canonical SMILES
Cc1[nH]c2ccccc2c1CCNCc1ccc(C=CC(=O)NO)cc1
Isomeric SMILES
CC1=C(C2=CC=CC=C2N1)CCNCC3=CC=C(C=C3)/C=C/C(=O)NO

Synonyms

  • Faridak
  • LBH 589
  • (2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enamide
  • (E)-N-hydroxy-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enamide
  • 2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)-, (2E)-
  • 2-Propenamide, N-hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino) methyl)phenyl)-, (2E)-
  • 2-Propenamide, N-hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-, (2E)-
  • Panobinostatum
  • (E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)prop-2-enamide
  • (2E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)prop-2-enamide
  • NVP LBH589
  • Farydak
  • Panobinostat (LBH589)
  • (E)-N-Hydroxy-3-(4-(((2-(2-methyl-1H-indol-3-yl)ethyl)amino)methyl)phenyl)acrylamide
  • Panobinostat(LBH589)
  • NVP-LBH 589
  • (2E)-N-Hydroxy-3-[4-[[[2-(2-methyl-1H-indol-3-yl)ethyl]amino]methyl]phenyl]-2-propenamide
  • (E)-N-Hydroxy-3-(4-{[2-(2-methyl-1H-indol-3-yl)-ethylamino]-methyl}-phenyl)-acrylamide
  • Farydak (TN)
  • Panobinostat(LBH-589)
  • (2E)-N-hydroxy-3-[4-({[2-(2-methyl-1H-indol-3-yl)ethyl]amino}methyl)phenyl]acrylamide
  • (E)-3-[4-[[2-(2-methyl-1H-indol-3-yl)ethylamino]methyl]phenyl]prop-2-enehydroxamic acid
  • (E)-N-hydroxy-3-(4-((2-(2-methyl-1H-indol-3-yl)ethylamino)methyl)phenyl)acrylamide
  • 404950-80-7 (free base)
  • Panobinostat, 98%
Show all 30 synonyms
  • Panobinostat & Mukungulu
  • Panobinostat (USAN/INN)
  • Panobinostat (LBH-589)
  • N-Hydroxy-3-[4-[2-(2-methyl-1H-indol-3-yl)ethylaminomethyl]phenyl]-2(E)-propenamide
  • 1-Brom-4-methansulfonylbenzen

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
349.43 g/molcalc.
Exact mass
349.179 Dacalc.
LogP (octanol/water)
3.33calc.
Topological polar surface area
77.15 Ųcalc.
Hydrogen bond donors
4calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
7calc.
Heavy atoms
26calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.19calc.
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, c1ccc(CNCCc2c[nH]c3ccccc23)cc1

c1ccc(CNCCc2c[nH]c3ccccc23)cc1

3 rings, 19 atoms, the N-Benzyltryptamine ring system.

148 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS05: Corrosive
Corrosive
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H301 + H331Toxic if swallowed. Toxic if inhaled.
  • H301Toxic if swallowed.
  • H315Causes skin irritation.
  • H318Causes serious eye damage.
  • H331Toxic if inhaled.
  • H360May damage fertility or the unborn child.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (23)
  • 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.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • P302 + P352If on skin: Wash with plenty of water.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • 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.
  • 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

Panobinostat suppliers

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Panobinostat 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

Industries and functions

Pharmacological actions

  • Antineoplastic Agents
  • Histone Deacetylase Inhibitors

Roles

  • angiogenesis modulating agent
  • anti-HIV agent
  • anti-anaemic agent
  • antifibrotic agent
  • antimicrobial agent
  • antineoplastic agent
  • antiviral agent
  • enzyme inhibitor
  • pharmaceutical

Pharmacology

Histone deacetylase (hdac) inhibitor is a Histone Deacetylase Inhibitor. The mechanism of action of histone deacetylase (hdac) inhibitor is as a Histone Deacetylase Inhibitor and Cytochrome P450 2D6 Inhibitor.

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 Panobinostat is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Panobinostat?

Panobinostat is a hydroxamic acid obtained by formal condensation of the carboxy group of (2E)-3-[4-({[2-(2-methylindol-3-yl)ethyl]amino}methyl)phenyl]prop-2-enoic acid with the amino group of hydroxylamine.

What is the CAS number of Panobinostat?

The CAS registry number of Panobinostat is 404950-80-7.

What is the molecular formula and weight of Panobinostat?

The molecular formula of Panobinostat is C21H23N3O2 and its molar mass is 349.43 g/mol.

What is Panobinostat used for?

Known uses and roles of Panobinostat include anticancer drugs in pharmaceuticals, angiogenesis modulating agent, anti-hiv agent, anti-anaemic agent, antifibrotic agent and 7 more.

Is Panobinostat hazardous?

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

What is the HS code of Panobinostat?

Panobinostat is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Panobinostat?

CompoundList lists 75 suppliers of Panobinostat in United States, China, Germany, United Kingdom and 9 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 Panobinostat?

Suppliers quote Panobinostat 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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