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Oncology and immunology drugs

Entrectinib

Also known as Rozlytrek, RXDX-101, entrectinibum

CAS 1108743-60-7Formula C31H34F2N6O2Molar mass 560.65 g/molEC 816-298-8
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Entrectinib chemical structure, C31H34F2N6O2, CAS 1108743-60-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1108743-60-7
Formula
C31H34F2N6O2
Molar mass
560.65 g/mol
EC number
816-298-8
HS code
293499
Category
Oncology and immunology drugs

What is Entrectinib?

Plain description, key identifiers and synonyms

Entrectinib is a member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively. It is a potent inhibitor of TRKA, TRKB, TRKC, ROS1, and ALK (IC50 values of 0.1 to 1.7 nM), and used for the treatment of NTRK, ROS1 and ALK gene fusion-positive solid tumours. It has a role as an antibacterial agent, an antineoplastic agent, an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor and an apoptosis inducer. It is a secondary carboxamide, a member of benzamides, a difluorobenzene, a member of indazoles, a N-methylpiperazine, a member of oxanes and a secondary amino compound.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CAS number
1108743-60-7 CAS number cross-checked
EC number
816-298-8
Molecular formula
C31H34F2N6O2
UNII
L5ORF0AN1I
MDL number
MFCD28129099
InChIKey
HAYYBYPASCDWEQ-UHFFFAOYSA-N
InChI
InChI=1S/C31H34F2N6O2/c1-38-8-10-39(11-9-38)25-3-4-26(29(19-25)34-24-6-12-41-13-7-24)31(40)35-30-27-17-20(2-5-28(27)36-37-30)14-21-15-22(32)18-23(33)16-21/h2-5,15-19,24,34H,6-14H2,1H3,(H2,35,36,37,40)
SMILES (canonical and isomeric)
CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6

Synonyms

  • Rozlytrek
  • RXDX-101
  • entrectinibum
  • RXDX 101
  • N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
  • Benzamide, N-(5-((3,5-difluorophenyl)methyl)-1H-indazol-3-yl)-4-(4-methyl-1-piperazinyl)-2-((tetrahydro-2H-pyran-4-yl)amino)-
  • N-(5-(3,5-Difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide
  • N-{5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl}-4-(4-methylpiperazin-1-yl)-2-[(oxan-4-yl)amino]benzamide
  • Benzamide, N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)amino]-
  • N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methyl-1-piperazinyl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide
  • RXDX101
  • N-(5-((3,5-Difluorophenyl)methyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-((oxan-4-yl)amino)benzamide
  • N-(5-((3,5-difluorophenyl)methyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
  • Entrectinib (RXDX-101)
  • N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-((tetrahydro-2H-pyran-4-yl)amino)benzamide
  • N-[5-[(3,5-Difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methyl-1-piperazinyl)-2-[(tetrahydro-2H-pyran-4-yl)amino]benzamide
  • Entrectinib(rxdx-101)
  • N-[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(tetrahydropyran-4-ylamino)benzamide
  • Rozlytrek (TN)
  • N-(5-(3,5-difluorobenzyl)-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide
  • N-[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzamide
  • YMX
  • Entrectinib, 95%
  • RG 6268
  • Entrectinib (Standard)
Show all 30 synonyms
  • Kinome_2659
  • Entrectinib, NMS-E628
  • Entrectinib (RXDX-101)?
  • Entrectinib (JAN/USAN/INN)
  • NMS-E 628

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
560.65 g/molcalc.
Exact mass
560.2711 Dacalc.
LogP (octanol/water)
5.03calc.
Topological polar surface area
85.52 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
41calc.
Rings
6calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.36calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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(Nc1n[nH]c2ccc(Cc3ccccc3)cc12)c1ccc(N2CCNCC2)cc1NC1CCOCC1

O=C(Nc1n[nH]c2ccc(Cc3ccccc3)cc12)c1ccc(N2CCNCC2)cc1NC1CCOCC1

6 rings, 38 atoms.

16 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Entrectinib suppliers

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All 46 suppliers
30 of 30 offers

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Where suppliers are based

46 suppliers in 11 countries

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Entrectinib 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

Pharmacological actions

  • Protein Kinase Inhibitors

Roles

  • antibacterial agent
  • antimicrobial agent
  • antineoplastic agent
  • apoptosis inducer
  • enzyme inhibitor
  • pharmaceutical
  • protein kinase inhibitor
  • tyrosine kinase inhibitor

Pharmacology

Entrectinib is an orally bioavailable inhibitor of the tyrosine kinases tropomyosin receptor kinases (Trk) A, B and C, C-ros oncogene 1 (ROS1) and anaplastic lymphoma kinase (ALK), with potential antineoplastic activity. Upon administration, entrectinib binds to and inhibits TrkA, TrkB, TrkC, ROS1 and ALK. Inhibition of these kinases may result in a disruption of TrkA-, TrkB-, TrkC-, ROS1-, and ALK-mediated signaling. This leads to an induction of apoptosis and an inhibition of tumor cell proliferation in tumor cells that express these kinases. TrkA, TrkB, TrkC, ROS1 and ALK are overexpressed in a variety of cancer cell types.

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 Entrectinib 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 Entrectinib is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

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

What is Entrectinib?

Entrectinib is a member of the class of indazoles that is 1H-indazole substituted by [4-(4-methylpiperazin-1-yl)-2-(tetrahydro-2H-pyran-4-ylamino)benzoyl]amino and 3,5-difluorobenzyl groups at positions 3 and 5, respectively.

What is the CAS number of Entrectinib?

The CAS registry number of Entrectinib is 1108743-60-7.

What is the molecular formula and weight of Entrectinib?

The molecular formula of Entrectinib is C31H34F2N6O2 and its molar mass is 560.65 g/mol.

What is Entrectinib used for?

Known uses and roles of Entrectinib include anticancer drugs in pharmaceuticals, biochemical and pharmacological tools in research and laboratory, antibacterial agent, antimicrobial agent, antineoplastic agent and 6 more.

Is Entrectinib hazardous?

No GHS hazard classification for Entrectinib is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Entrectinib?

Entrectinib 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 Entrectinib?

CompoundList lists 46 suppliers of Entrectinib in China, United States, Spain, Canada and 7 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 Entrectinib?

Suppliers quote Entrectinib 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

Practical guides that help when you source, ship or handle Entrectinib

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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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