PT-65

CAT: 0804-HY-153166-01Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-153166-01Size:1 mg

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Description

PT-65 is a potent and selective GSK3 PROTAC degrader with the highest degradation capacity of GSK3α (DC50= 28.3 nM) and GSK3β (DC50= 34.2 nM) in SH-SY5Y cells. PT-65 can be used in Alzheimer's disease research[1]. (Pink: GSK3 inhibitor ; Black: linker; Blue: CRBN Ligand (HY-10984) )

CAS Number

2721998-87-2

UNSPSC

12352005

Target

GSK-3; PROTACs

Type

Reference compound

Related Pathways

PI3K/Akt/mTOR; PROTAC; Stem Cell/Wnt

Applications

Neuroscience-Neurodegeneration

Field of Research

Neurological Disease

Assay Protocol

https://www.medchemexpress.com/pt-65.html

Purity

99.48

Solubility

DMSO : 100 mg/mL (ultrasonic)

Smiles

O=C(C1=C(N)N=CC(C2=CC=C(S(=O)(N3CCN(CCCCC4=CN(CCOCCOCCOCCOCCOCCNC5=CC=CC(C(N6C7C(NC(CC7)=O)=O)=O)=C5C6=O)N=N4)CC3)=O)C=C2)=N1)NC8=CC=CN=C8

Molecular Formula

C51H63N13O12S

Molecular Weight

1082.19

References & Citations

[1]Qu L, et al. Discovery of PT-65 as a highly potent and selective Proteolysis-targeting chimera degrader of GSK3 for treating Alzheimer's disease. Eur J Med Chem. 2021 Dec 15;226:113889.

Shipping Conditions

Blue Ice

Storage Conditions

-20°C, 3 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

3-amino-6-[4-[4-[4-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide

CAS Number	2721998-87-2
PubChem CID	166636245
IUPAC Name	3-amino-6-[4-[4-[4-[1-[2-[2-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]butyl]piperazin-1-yl]sulfonylphenyl]-N-pyridin-3-ylpyrazine-2-carboxamide
Molecular Formula	C51H63N13O12S
Molecular Weight	1082.2
XLogP	0.8
Topological Polar Surface Area	315
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	30
Heavy Atom Count	77
Formal Charge	0
Complexity	2000

SMILES

C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)NCCOCCOCCOCCOCCOCCN4C=C(N=N4)CCCCN5CCN(CC5)S(=O)(=O)C6=CC=C(C=C6)C7=CN=C(C(=N7)C(=O)NC8=CN=CC=C8)N

InChI

InChI=1S/C51H63N13O12S/c52-47-46(49(67)56-37-6-4-15-53-33-37)57-42(34-55-47)36-9-11-39(12-10-36)77(70,71)63-20-18-61(19-21-63)17-2-1-5-38-35-62(60-59-38)22-24-73-26-28-75-30-32-76-31-29-74-27-25-72-23-16-54-41-8-3-7-40-45(41)51(69)64(50(40)68)43-13-14-44(65)58-48(43)66/h3-4,6-12,15,33-35,43,54H,1-2,5,13-14,16-32H2,(H2,52,55)(H,56,67)(H,58,65,66)

InChIKey

QJSFLEBIQZMJQF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2721998-87-2

CID: 166636245

Formula: C51H63N13O12S

MW: 1082.2

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1082.2
XLogP3	0.8
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	30
Exact Mass	1081.44398567
Monoisotopic Mass	1081.44398567
Topological Polar Surface Area	315 Å²
Heavy Atom Count	77
Formal Charge	0
Complexity	2000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-116259	PT-S58
HY-100035-01	PT-262
HY-163087-01	PT-91
HY-160695-01	PT-179
HY-161509	PT-88
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T84913-01	PT-65
CEB72137-01	Pt-TTPY
T21984-01	PT-1
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T88090-01	PT-88
T86921-01	Mono-Pt
256361-01	PT 1
MBS3845991-01	PT-2385
ARI0099	PT-67
E1937-1g	PT-179

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