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Screening compounds

Samotolisib

Also known as 8-[5-(2-hydroxypropan-2-yl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one, LY 3023414, 2H-Imidazo[4,5-c]quinolin-2-one, 1,3-dihydro-8-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methyl-

CAS 1386874-06-1Formula C23H26N4O3Molar mass 406.49 g/mol
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Samotolisib chemical structure, C23H26N4O3, CAS 1386874-06-1
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1386874-06-1
Formula
C23H26N4O3
Molar mass
406.49 g/mol
HS code
293339
Category
Screening compounds

What is Samotolisib?

Plain description, key identifiers and synonyms

Samotolisib is an orally bioavailable, small molecule inhibitor of certain class I phosphoinositide 3-kinase (PI3K) isoforms and mammalian target of rapamycin kinase (mTOR) in the PI3K/mTOR signaling pathway, with potential antineoplastic activity. Samotolisib inhibits both certain PI3K isoforms and mTOR in an ATP-competitive manner which may inhibit both the PI3K/mTOR signaling pathway in and proliferation of tumor cells overexpressing PI3K and/or mTOR. The PI3K/mTOR pathway is upregulated in a variety of tumor cells and plays a key role in promoting cancer cell proliferation, and survival, motility and resistance to chemotherapy and radiotherapy. mTOR, a serine/threonine kinase downstream of PI3K, may also be activated in a PI3K-independent fashion, therefore, this agent may be more potent than an agent that inhibits either PI3K or mTOR alone. In addition, LY3023414 may inhibit DNA-dependent protein kinase (DNA-PK), thereby inhibiting the ability of tumor cells to repair damaged DNA. DNA-PK is activated upon DNA damage and plays a key role in repairing double-stranded DNA breaks.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one
CAS number
1386874-06-1
Molecular formula
C23H26N4O3
UNII
C88817F47Y
MDL number
MFCD28411368
InChIKey
ACCFLVVUVBJNGT-AWEZNQCLSA-N
InChI
InChI=1S/C23H26N4O3/c1-14(30-5)13-27-21-18-9-15(16-8-17(11-24-10-16)23(2,3)29)6-7-19(18)25-12-20(21)26(4)22(27)28/h6-12,14,29H,13H2,1-5H3/t14-/m0/s1
Canonical SMILES
COC(C)Cn1c(=O)n(C)c2cnc3ccc(-c4cncc(C(C)(C)O)c4)cc3c21
Isomeric SMILES
C[C@@H](CN1C2=C3C=C(C=CC3=NC=C2N(C1=O)C)C4=CC(=CN=C4)C(C)(C)O)OC

Synonyms

  • 8-[5-(2-hydroxypropan-2-yl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one
  • LY 3023414
  • 2H-Imidazo[4,5-c]quinolin-2-one, 1,3-dihydro-8-[5-(1-hydroxy-1-methylethyl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methyl-
  • WHO 10889
  • 2H-Imidazo(4,5-C)quinolin-2-one, 1,3-dihydro-8-(5-(1-hydroxy-1-methylethyl)-3-pyridinyl)-1-((2S)-2-methoxypropyl)-3-methyl-
  • Pi3k/mtor inhibitor ly3023414
  • 8-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((2S)-2-methoxypropyl)-3-methylimidazo(4,5-c)quinolin-2-one
  • 8-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-((2S)-2-methoxypropyl)-3-methyl-1H,2H,3H-imidazo(4,5-c)quinolin-2-one
  • example 1
  • (S)-8-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-(2-methoxypropyl)-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
  • Samotolisib (USAN)
  • (S)-8-(5-(2-hydroxypropan-2-yl)pyridin-3-yl)-1-(2-methoxypropyl)-3-methyl-1H-imidazo[4,5-c]quinolin-2(3H)-one
  • Samotolisib (LY3023414)
  • 2H-Imidazo(4,
  • 8-[5-(1-hydroxy-1-methylethyl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-one
  • Samotolisib, >98% (HPLC)
  • 8-[5-(1-hydroxy-1-methyl-ethyl)-3-pyridyl]-1-[(2S)-2-methoxypropyl]-3-methyl-imidazo[4,5-c]quinolin-2-one
  • 8-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]-1-[(2S)-2-methoxypropyl]-3-methylimidazo[4,5-c]quinolin-2-one
  • 8-[5-(2-Hydroxypropan-2-yl)pyridin-3-yl]-1-[(2S)-2-methoxypropyl]-3-methyl-1,3-dihydro-2H-imidazo[4,5-c]quinolin-2-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
406.49 g/molcalc.
Exact mass
406.2005 Dacalc.
LogP (octanol/water)
3.21calc.
Topological polar surface area
82.17 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
5calc.
Heavy atoms
30calc.
Rings
4calc.
Aromatic rings
4calc.
Fraction sp3 carbons
0.35calc.
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=c1[nH]c2cnc3ccc(-c4cccnc4)cc3c2[nH]1

O=c1[nH]c2cnc3ccc(-c4cccnc4)cc3c2[nH]1

4 rings, 20 atoms.

2 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.

Samotolisib suppliers

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Samotolisib 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

Roles

  • antineoplastic agent
  • pharmaceutical

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

Frequently asked questions

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

What is Samotolisib?

Samotolisib is an orally bioavailable, small molecule inhibitor of certain class I phosphoinositide 3-kinase (PI3K) isoforms and mammalian target of rapamycin kinase (mTOR) in the PI3K/mTOR signaling pathway, with potential antineoplastic activity.

What is the CAS number of Samotolisib?

The CAS registry number of Samotolisib is 1386874-06-1.

What is the molecular formula and weight of Samotolisib?

The molecular formula of Samotolisib is C23H26N4O3 and its molar mass is 406.49 g/mol.

What is Samotolisib used for?

Known uses and roles of Samotolisib include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Samotolisib hazardous?

No GHS hazard classification for Samotolisib 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 Samotolisib?

Samotolisib 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 Samotolisib?

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What is the price of Samotolisib?

Suppliers quote Samotolisib 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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