SJPYT-195

CAT: 0804-HY-150616-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No

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CAT#:0804-HY-150616-02Size:10 mM - 1 mL

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

SJPYT-195 is a cytotoxic GSPT1 degrader and can be used for PROTAC synthesis[1].

CAS Number

2973762-16-0

UNSPSC

12352005

Hazard Statement

H302-H315-H319-H335

Target

Molecular Glues; Pregnane X Receptor (PXR)

Type

Reference compound

Related Pathways

PROTAC; Vitamin D Related/Nuclear Receptor

Applications

Cancer-programmed cell death

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/sjpyt-195.html

Concentration

10mM

Purity

99.41

Solubility

DMSO : 50 mg/mL (ultrasonic; warming; heat to 60°C)

Smiles

O=C(C1=C(C)N(C2=CC(OC)=CC=C2OC)N=N1)NC3=CC(OC4=CC=CC(C(N5C(CC6)C(NC6=O)=O)=O)=C4C5=O)=CC(C(C)(C)C)=C3

Molecular Formula

C35H34N6O8

Molecular Weight

666.68

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

References & Citations

[1]Huber A D, et al. SJPYT-195: A Designed Nuclear Receptor Degrader That Functions as a Molecular Glue Degrader of GSPT1. ACS Medicinal Chemistry Letters, 2022.

Shipping Conditions

Room Temperature

Storage Conditions

-20°C, 3 years; 4°C, 2 years (Powder)

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

Sjpyt-195

CAS Number	2973762-16-0
PubChem CID	164887503
IUPAC Name	N-[3-tert-butyl-5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyphenyl]-1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
Molecular Formula	C35H34N6O8
Molecular Weight	666.7
XLogP	4.3
Topological Polar Surface Area	171
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Heavy Atom Count	49
Formal Charge	0
Complexity	1290

SMILES

CC1=C(N=NN1C2=C(C=CC(=C2)OC)OC)C(=O)NC3=CC(=CC(=C3)C(C)(C)C)OC4=CC=CC5=C4C(=O)N(C5=O)C6CCC(=O)NC6=O

InChI

InChI=1S/C35H34N6O8/c1-18-30(38-39-41(18)25-17-21(47-5)10-12-26(25)48-6)32(44)36-20-14-19(35(2,3)4)15-22(16-20)49-27-9-7-8-23-29(27)34(46)40(33(23)45)24-11-13-28(42)37-31(24)43/h7-10,12,14-17,24H,11,13H2,1-6H3,(H,36,44)(H,37,42,43)

InChIKey

YYDMLWLLMFAABT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2973762-16-0

CID: 164887503

Formula: C35H34N6O8

MW: 666.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	666.7
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	9
Exact Mass	666.24381206
Monoisotopic Mass	666.24381206
Topological Polar Surface Area	171 Å²
Heavy Atom Count	49
Formal Charge	0
Complexity	1290
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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