Rezatapopt

CAT: 0931-T81289-05Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T81289-05Size:25 mg

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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 Number	2636846-41-6
PubChem CID	156195543
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
Molecular Formula	C28H31F4N5O2
Molecular Weight	545.6
XLogP	4.8
Topological Polar Surface Area	70.6
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Heavy Atom Count	39
Formal Charge	0
Complexity	892

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

CAS: 2636846-41-6

CID: 156195543

Formula: C28H31F4N5O2

MW: 545.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	545.6
XLogP3	4.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	8
Exact Mass	545.24138790
Monoisotopic Mass	545.24138790
Topological Polar Surface Area	70.6 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	892
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
C01988-5mg	Rezatapopt

Rezatapopt

Chemical Information

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