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Screening compounds

Tre-515

Also known as dCK Inhibitor TRE-515, TRE 515, DI 87

CAS 2107280-55-5Formula C23H30N6O3S2Molar mass 502.67 g/mol
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Tre-515 chemical structure, C23H30N6O3S2, CAS 2107280-55-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2107280-55-5
Formula
C23H30N6O3S2
Molar mass
502.67 g/mol
HS code
293410
Category
Screening compounds

What is Tre-515?

Plain description, key identifiers and synonyms

Deoxycytidine Kinase Inhibitor TRE-515 is an orally bioavailable inhibitor of deoxycytidine kinase (dCK), with potential antineoplastic activity. Upon oral administration, dCK inhibitor TRE-515 targets, binds to and inhibits the activity of dCK, an enzyme that catalyzes the rate-limiting reaction in the deoxyribonucleoside salvage pathway in cancer cells. By inhibiting dCK, TRE-515 halts nucleotide synthesis and prevents the metabolism of DNA precursors in tumor cells. This inhibits DNA replication in and proliferation of cancer cells. dCK predominantly phosphorylates the deoxyribonucleoside deoxycytidine (dC) and converts dC into deoxycytidine monophosphate. It is upregulated in multiple tumor cell types in response to increased DNA synthesis needed for rapid cancer cell proliferation.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[(1R)-1-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethyl]sulfanylpyrimidine-4,6-diamine
CAS number
2107280-55-5
Molecular formula
C23H30N6O3S2
UNII
8EK0RD3M21
MDL number
MFCD34469884
InChIKey
MFVINMPRHHUSBW-OAHLLOKOSA-N
InChI
InChI=1S/C23H30N6O3S2/c1-14-21(15(2)34-23-26-19(24)13-20(25)27-23)28-22(33-14)16-4-5-17(30-3)18(12-16)32-11-8-29-6-9-31-10-7-29/h4-5,12-13,15H,6-11H2,1-3H3,(H4,24,25,26,27)/t15-/m1/s1
Canonical SMILES
COc1ccc(-c2nc(C(C)Sc3nc(N)cc(N)n3)c(C)s2)cc1OCCN1CCOCC1
Isomeric SMILES
CC1=C(N=C(S1)C2=CC(=C(C=C2)OC)OCCN3CCOCC3)[C@@H](C)SC4=NC(=CC(=N4)N)N

Synonyms

  • dCK Inhibitor TRE-515
  • TRE 515
  • DI 87
  • Deoxycytidine Kinase Inhibitor TRE-515
  • (r)-2-((1-(2-(4-methoxy-3-(2-morpholinoethoxy)phenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
  • (R)-2-[[1-[2-[4-Methoxy-3-(2-morpholinoethoxy)phenyl]-5-methylthiazol-4-yl]ethyl]thio]pyrimidine-4,6-diamine
  • (R)-2-((1-(2-(4-Methoxy-3-(2-morpholinoethoxy) phenyl)-5-methylthiazol-4-yl)ethyl)thio)pyrimidine-4,6-diamine
  • 2-[(1R)-1-[2-[4-methoxy-3-(2-morpholin-4-ylethoxy)phenyl]-5-methyl-1,3-thiazol-4-yl]ethyl]sulfanylpyrimidine-4,6-diamine

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
502.67 g/molcalc.
Exact mass
502.1821 Dacalc.
LogP (octanol/water)
3.65calc.
Topological polar surface area
121.6 Ųcalc.
Hydrogen bond donors
2calc.
Hydrogen bond acceptors
11calc.
Rotatable bonds
9calc.
Heavy atoms
34calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.44calc.
Formal charge
0calc.
Stereocentres
1calc.
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, c1cnc(SCc2csc(-c3cccc(OCCN4CCOCC4)c3)n2)nc1

c1cnc(SCc2csc(-c3cccc(OCCN4CCOCC4)c3)n2)nc1

4 rings, 28 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.

Tre-515 suppliers

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Tre-515 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 Tre-515 is traded under.

HS 2934.10Indicative HS code

Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…

World exports in 2024
$3.88B
−16.1% vs 2023, imports $3.12B
2019 to 2024
Top exporters
  1. Switzerland * partner reported36.4%
  2. Ireland28.8%
  3. China10.0%
Top importers
  1. Canada33.4%
  2. United States14.4%
  3. Ireland13.1%

* Partner reported figures, a lower bound.

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

The HS code shown for Tre-515 is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Tre-515, based on the data on this page

What is Tre-515?

Deoxycytidine Kinase Inhibitor TRE-515 is an orally bioavailable inhibitor of deoxycytidine kinase (dCK), with potential antineoplastic activity.

What is the CAS number of Tre-515?

The CAS registry number of Tre-515 is 2107280-55-5.

What is the molecular formula and weight of Tre-515?

The molecular formula of Tre-515 is C23H30N6O3S2 and its molar mass is 502.67 g/mol.

What is Tre-515 used for?

Known uses and roles of Tre-515 include building blocks in research and laboratory, screening compounds in research and laboratory, antineoplastic agent and pharmaceutical.

Is Tre-515 hazardous?

No GHS hazard classification for Tre-515 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 Tre-515?

Tre-515 is usually classified under HS code 293410 (Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Tre-515?

Post a free request on CompoundList and suppliers of Tre-515 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Tre-515?

Suppliers quote Tre-515 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

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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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