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Rezatapopt

CAT: 0957-E1971-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E1971-01Size:5 mg
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Description
Rezatapopt (PC14586) is a first-in-class p53 reactivator. It selectively binds to the mutated p53 Y220C protein and restores its wild-type activity. It can also be used to inhibit solid tumor with p53 mutation.
CAS Number
2636846-41-6
Synonyms
PC14586
Target
P53
Activity
Apoptosis
Molecular Formula
C28H31F4N5O2

Chemical Information

Rezatapopt

Rezatapopt is under investigation in clinical trial NCT04585750 (The Evaluation of PC14586 in Patients With Advanced Solid Tumors Harboring a TP53 Y220C Mutation (PYNNACLE)).

CAS Number2636846-41-6
PubChem CID156195543
IUPAC Name4-[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
Molecular FormulaC28H31F4N5O2
Molecular Weight545.6
XLogP4.8
Topological Polar Surface Area70.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity892
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
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
InChIKey
NKRKBSQLUPEVCZ-JTHBVZDNSA-N
Chemical Structure
2D Structure
2D structure of Rezatapopt
CAS: 2636846-41-6
CID: 156195543
Formula: C28H31F4N5O2
MW: 545.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight545.6
XLogP34.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass545.24138790
Monoisotopic Mass545.24138790
Topological Polar Surface Area70.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity892
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
T81289-01Rezatapopt

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