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Screening compounds

Eratrectinib

Also known as Example 1, (18bR)-12-Cyclopropyl-17-fluoro-1,2,3,11,12,13,14,18b-octahydro-10H-5,7-ethenopyrazolo[4,3-d]pyrido[3,2-j]pyrrolo[1,2-h][1,2,6,8]tetraazacyclotridecin-10-one, (6R)-15-cyclopropyl-9-fluoro-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one

CAS 2396516-98-4Formula C21H22FN7OMolar mass 407.45 g/mol
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Eratrectinib chemical structure, C21H22FN7O, CAS 2396516-98-4
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2396516-98-4
Formula
C21H22FN7O
Molar mass
407.45 g/mol
HS code
293359
Category
Screening compounds

What is Eratrectinib?

Plain description, key identifiers and synonyms

Eratrectinib is an orally bioavailable, second-generation tropomyosin-related-kinase (TRK) inhibitor, with potential antineoplastic activity. Upon oral administration, eratrectinib specifically targets and binds to TRK, TRK mutations and fusion proteins containing sequences from neurotrophic tyrosine receptor kinase (NTRK) types 1 (NTRK1, TrkA), 2 (NTRK2, TrkB), and 3 (NTRK3, TrkC). This inhibits neurotrophin-TRK interaction and TRK activation, thereby preventing the activation of downstream signaling pathways, including the PI3K, RAS/MAPK/ERK and PLC-gamma pathways that are activated by these kinases. This results in both the induction of cellular apoptosis and the inhibition of cell growth in tumors that overexpress TRK and/or express NTRK fusion proteins. TRK, a family of receptor tyrosine kinases (RTKs) activated by neurotrophins, is encoded by NTRK family genes.

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The expression of either mutated forms of, or fusion proteins involving NTRK family members results in uncontrolled TRK signaling, which plays an important role in tumor cell growth, survival, invasion and treatment resistance.

Eratrectinib is an investigational drug.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(6R)-15-cyclopropyl-9-fluoro-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one
CAS number
2396516-98-4
Molecular formula
C21H22FN7O
UNII
UP4C2TYD49
InChIKey
URXMBXJZRCIDQB-GOSISDBHSA-N
InChI
InChI=1S/C21H22FN7O/c22-13-10-15-17(23-11-13)5-8-28(14-3-4-14)26-21(30)16-12-24-29-9-6-19(25-20(16)29)27-7-1-2-18(15)27/h6,9-12,14,18H,1-5,7-8H2,(H,26,30)/t18-/m1/s1
Canonical SMILES
O=C1NN(C2CC2)CCc2ncc(F)cc2C2CCCN2c2ccn3ncc1c3n2
Isomeric SMILES
C1C[C@@H]2C3=C(CCN(NC(=O)C4=C5N=C(N2C1)C=CN5N=C4)C6CC6)N=CC(=C3)F

Synonyms

  • Example 1
  • (18bR)-12-Cyclopropyl-17-fluoro-1,2,3,11,12,13,14,18b-octahydro-10H-5,7-ethenopyrazolo[4,3-d]pyrido[3,2-j]pyrrolo[1,2-h][1,2,6,8]tetraazacyclotridecin-10-one
  • (6R)-15-cyclopropyl-9-fluoro-2,11,15,16,20,21,24-heptazapentacyclo[16.5.2.02,6.07,12.021,25]pentacosa-1(24),7(12),8,10,18(25),19,22-heptaen-17-one

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
407.45 g/molcalc.
Exact mass
407.187 Dacalc.
LogP (octanol/water)
2.27calc.
Topological polar surface area
78.66 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
1calc.
Heavy atoms
30calc.
Rings
6calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.43calc.
Formal charge
0calc.
Stereocentres
1calc.
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=C1NN(C2CC2)CCc2ncccc2C2CCCN2c2ccn3ncc1c3n2

O=C1NN(C2CC2)CCc2ncccc2C2CCCN2c2ccn3ncc1c3n2

6 rings, 29 atoms.

No other chemical in our database has 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.

Eratrectinib suppliers

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Eratrectinib 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

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024
$18.4B
+10.5% vs 2023, imports $24.8B
2019 to 2024
Top exporters
  1. Ireland43.6%
  2. Switzerland * partner reported26.3%
  3. China7.9%
Top importers
  1. Slovenia30.3%
  2. United States30.1%
  3. Germany15.3%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Eratrectinib?

Eratrectinib is an orally bioavailable, second-generation tropomyosin-related-kinase (TRK) inhibitor, with potential antineoplastic activity.

What is the CAS number of Eratrectinib?

The CAS registry number of Eratrectinib is 2396516-98-4.

What is the molecular formula and weight of Eratrectinib?

The molecular formula of Eratrectinib is C21H22FN7O and its molar mass is 407.45 g/mol.

What is Eratrectinib used for?

Known uses and roles of Eratrectinib include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Eratrectinib hazardous?

No GHS hazard classification for Eratrectinib 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 Eratrectinib?

Eratrectinib is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Eratrectinib?

Post a free request on CompoundList and suppliers of Eratrectinib will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Eratrectinib?

Suppliers quote Eratrectinib 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 Eratrectinib

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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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