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Impurities and reference standards

Tersolisib

Also known as 1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea, 1-(2-aminopyrimidin-5-yl)-3-((1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl)urea, (R)-1-(2-Aminopyrimidin-5-yl)-3-(1-(5,7-difluoro-3-methylbenzofuran-2-yl)-2,2,2-trifluoroethyl)urea

CAS 2883540-92-7Formula C16H12F5N5O2Molar mass 401.30 g/mol
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Tersolisib chemical structure, C16H12F5N5O2, CAS 2883540-92-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2883540-92-7
Formula
C16H12F5N5O2
Molar mass
401.30 g/mol
HS code
293499
Category
Impurities and reference standards

What is Tersolisib?

Plain description, key identifiers and synonyms

Tersolisib is an orally bioavailable, brain penetrative, selective inhibitor of the class I phosphatidylinositol-4,5-bisphosphate 3-kinase (PI3K) catalytic subunit alpha (phosphoinositide 3-kinase alpha, PIK3CA, PI3K p110alpha) mutant H1047X, with potential antineoplastic activity. Upon oral administration, tersolisib selectively targets and allosterically binds to the PIK3CA mutated form PIK3CA H1047X, thereby preventing the activity of the H1047X mutant. This prevents PIK3CA H1047X-mediated activation of the PI3K/Akt (protein kinase B)/mammalian target of rapamycin (mTOR) pathway. This results in both apoptosis and growth inhibition in PIK3CA H1047X mutant-expressing tumor cells. By specifically targeting the PIK3CA H1047X mutation, tersolisib may be more efficacious and less toxic than other PI3K-alpha inhibitors that are not mutant specific.

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Dysregulation of the PI3K/Akt/mTOR pathway is often found in solid tumors and results in the promotion of tumor cell growth, survival, and resistance to chemo- and radio-therapy. PIK3CA, one of the most frequently mutated oncogenes, encodes the p110-alpha catalytic subunit of the class I PI3K. Tersolisib is able to penetrate the blood-brain-barrier (BBB).

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea
CAS number
2883540-92-7
Molecular formula
C16H12F5N5O2
UNII
AGX9NKC8M9
InChIKey
LGPNQALKGDDVBD-CYBMUJFWSA-N
InChI
InChI=1S/C16H12F5N5O2/c1-6-9-2-7(17)3-10(18)12(9)28-11(6)13(16(19,20)21)26-15(27)25-8-4-23-14(22)24-5-8/h2-5,13H,1H3,(H2,22,23,24)(H2,25,26,27)/t13-/m1/s1
Canonical SMILES
Cc1c(C(NC(=O)Nc2cnc(N)nc2)C(F)(F)F)oc2c(F)cc(F)cc12
Isomeric SMILES
CC1=C(OC2=C1C=C(C=C2F)F)[C@H](C(F)(F)F)NC(=O)NC3=CN=C(N=C3)N

Synonyms

  • 1-(2-aminopyrimidin-5-yl)-3-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea
  • 1-(2-aminopyrimidin-5-yl)-3-((1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl)urea
  • (R)-1-(2-Aminopyrimidin-5-yl)-3-(1-(5,7-difluoro-3-methylbenzofuran-2-yl)-2,2,2-trifluoroethyl)urea
  • N-(2-aminopyrimidin-5-yl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-1-benzofuran-2-yl)-2,2,2-trifluoroethyl]urea
  • Urea, N-(2-amino-5-pyrimidinyl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-2-benzofuranyl)-2,2,2-trifluoroethyl]-
  • ZWE
  • Alpelisib Impurity 2
  • Tersolisib (USAN/INN)
  • STX-478?
  • Scorpion PI3Kalpha inhibitor Tersolisib (STX-478)
  • Glycine transporter 1 (GlyT1) inhibitor Iclepertin (BI-425809)
  • N-(2-Amino-5-pyrimidinyl)-N inverted exclamation marka-[(1R)-1-(5,7-difluoro-3-methyl-2-benzofuranyl)-2,2,2-trifluoroethyl]urea
  • N-(2-Amino-5-pyrimidinyl)-N'-[(1R)-1-(5,7-difluoro-3-methyl-2-benzofuranyl)-2,2,2-trifluoroethyl]urea
  • N-(2-Amino-5-pyrimidinyl)-N?-[(1R)-1-(5,7-difluoro-3-methyl-2-benzofuranyl)-2,2,2-trifluoroethyl]urea

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
401.30 g/molcalc.
Exact mass
401.0911 Dacalc.
LogP (octanol/water)
3.82calc.
Topological polar surface area
106.1 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
3calc.
Heavy atoms
28calc.
Rings
3calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.19calc.
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=C(NCc1cc2ccccc2o1)Nc1cncnc1

O=C(NCc1cc2ccccc2o1)Nc1cncnc1

3 rings, 20 atoms.

3 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.

Tersolisib suppliers

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Tersolisib 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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

Frequently asked questions

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

What is Tersolisib?

Tersolisib is an orally bioavailable, brain penetrative, selective inhibitor of the class I phosphatidylinositol-4,5-bisphosphate 3-kinase (PI3K) catalytic subunit alpha (phosphoinositide 3-kinase alpha, PIK3CA, PI3K p110alpha) mutant H1047X, with potential antineoplastic activity.

What is the CAS number of Tersolisib?

The CAS registry number of Tersolisib is 2883540-92-7.

What is the molecular formula and weight of Tersolisib?

The molecular formula of Tersolisib is C16H12F5N5O2 and its molar mass is 401.30 g/mol.

Is Tersolisib hazardous?

No GHS hazard classification for Tersolisib 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 Tersolisib?

Tersolisib 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 Tersolisib?

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What is the price of Tersolisib?

Suppliers quote Tersolisib 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 Tersolisib

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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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