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Rezatapopt

CAT: 0931-T81289-03Size: 1 mL - 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0931-T81289-03Size:1 mL - 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2636846-41-6
Target
Others, MDM-2/p53, p53
Related Pathways
Others, Apoptosis
Purity
0.9812
Bioactivity
Rezatapopt (PC14586) is a small molecule p53 reactivator with anti-tumor activity that selectively binds to the cleft present in the TP53 Y220C mutant protein and restores the p53 wild-type (normal) conformation and transcriptional activity, and can be used to study locally advanced or metastatic solid tumors.
Smiles
N(C1=C2C(N(CC(F)(F)F)C(C#CCNC3=C(OC)C=C(C(NC)=O)C=C3)=C2)=CC=C1)[C@H]4[C@@H](F)CN(C)CC4
Molecular Formula
C28H31F4N5O2
Molecular Weight
545.57
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Alternative Products

CatalogName
C01988-5mgRezatapopt

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