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Screening compounds

Rezatapopt

Also known as PC 14586, 4-((3-(4-(((3S,4R)-3-fluoro-1-methylpiperidin-4-yl)amino)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)prop-2-yn-1-yl)amino)-3-methoxy-N-methylbenzamide, 4-[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-methylbenzamide

CAS 2636846-41-6Formula C28H31F4N5O2Molar mass 545.58 g/mol
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Rezatapopt chemical structure, C28H31F4N5O2, CAS 2636846-41-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
2636846-41-6
Formula
C28H31F4N5O2
Molar mass
545.58 g/mol
HS code
293339
Category
Screening compounds

What is Rezatapopt?

Plain description, key identifiers and synonyms

Rezatapopt is an orally bioavailable, small molecule reactivator of the p53 Y220C mutant, with potential antineoplastic activity. Upon oral administration, rezatapopt selectively targets and binds to the crevice created by the p53 Y220C mutation, which normalizes and restores wild-type p53 protein structure and activity. This blocks tumor cell cycle progression and induces apoptosis in tumor cells expressing the p53 Y220C mutant. The p53 gene, a tumor suppressor gene, is mutated in many tumor types. The p53 protein plays a key role in the regulation of apoptosis and cellular proliferation.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-methylbenzamide
CAS number
2636846-41-6
Molecular formula
C28H31F4N5O2
UNII
5W59S33KC9
MDL number
MFCD35202895
InChIKey
NKRKBSQLUPEVCZ-JTHBVZDNSA-N
InChI
InChI=1S/C28H31F4N5O2/c1-33-27(38)18-9-10-24(26(14-18)39-3)34-12-5-6-19-15-20-22(35-23-11-13-36(2)16-21(23)29)7-4-8-25(20)37(19)17-28(30,31)32/h4,7-10,14-15,21,23,34-35H,11-13,16-17H2,1-3H3,(H,33,38)/t21-,23+/m0/s1
SMILES
CNC(=O)C1=CC(=C(C=C1)NCC#CC2=CC3=C(C=CC=C3N2CC(F)(F)F)N[C@@H]4CCN(C[C@@H]4F)C)OC

Synonyms

  • PC 14586
  • 4-((3-(4-(((3S,4R)-3-fluoro-1-methylpiperidin-4-yl)amino)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)prop-2-yn-1-yl)amino)-3-methoxy-N-methylbenzamide
  • 4-[3-[4-[[(3S,4R)-3-fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)indol-2-yl]prop-2-ynylamino]-3-methoxy-N-methylbenzamide
  • Benzamide, 4-[[3-[4-[[(3S,4R)-3-fluoro-1-methyl-4-piperidinyl]amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl]-2-propyn-1-yl]amino]-3-methoxy-N-methyl-
  • 4-[[3-[4-[[(3S,4R)-3-Fluoro-1-methylpiperidin-4-yl]amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl]prop-2-yn-1-yl]amino]-3-methoxy-N-methylbenzamide
  • Rezatapopt (USAN/INN)
  • compound 26
  • 4-(3-(4-((3S,4R)-3-Fluoro-1-methylpiperidin-4-ylamino)-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl)prop-2-ynylamino)-3-methoxy-N-methylbenzamide
  • 4-[[3-[4-[[(3S,4R)-3-Fluoro-1-methyl-4-piperidinyl]amino]-1-(2,2,2-trifluoroethyl)-1H-indol-2-yl]-2-propyn-1-yl]amino]-3-methoxy-N-methylbenzamide

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
545.58 g/molcalc.
Exact mass
545.2414 Dacalc.
LogP (octanol/water)
4.49calc.
Topological polar surface area
70.56 Ųcalc.
Hydrogen bond donors
3calc.
Hydrogen bond acceptors
5calc.
Rotatable bonds
7calc.
Heavy atoms
39calc.
Rings
4calc.
Aromatic rings
3calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
2calc.
Lipinski rule of five
Passes (1 violation)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, C(#Cc1cc2c(NC3CCNCC3)cccc2[nH]1)CNc1ccccc1

C(#Cc1cc2c(NC3CCNCC3)cccc2[nH]1)CNc1ccccc1

4 rings, 26 atoms.

6 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.

Rezatapopt suppliers

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Rezatapopt price

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

Frequently asked questions

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

What is Rezatapopt?

Rezatapopt is an orally bioavailable, small molecule reactivator of the p53 Y220C mutant, with potential antineoplastic activity.

What is the CAS number of Rezatapopt?

The CAS registry number of Rezatapopt is 2636846-41-6.

What is the molecular formula and weight of Rezatapopt?

The molecular formula of Rezatapopt is C28H31F4N5O2 and its molar mass is 545.58 g/mol.

What is Rezatapopt used for?

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

Is Rezatapopt hazardous?

No GHS hazard classification for Rezatapopt 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 Rezatapopt?

Rezatapopt 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 Rezatapopt?

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

What is the price of Rezatapopt?

Suppliers quote Rezatapopt 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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