PTX80

CAT: 0931-T203052-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T203052-02Size:50 mg

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

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CAS Number

2376297-69-5

Target

Others, p62

Related Pathways

Autophagy, Others

Bioactivity

PTX80 is an antagonist of p62, with an IC50 value of 31.18 nM. It has been shown to reduce tumor volume in a HCT116 colorectal cancer mouse xenograft model.

Smiles

C(=C\1/C(=O)\C(=C\C2=CC=C(C#N)C=C2)\CN(S(CCCN(C)C)(=O)=O)C1)\C3=CC=C(C#N)C=C3

Molecular Formula

C26H26N4O3S

Molecular Weight

474.58

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

4-[(E)-[(5E)-5-[(4-cyanophenyl)methylidene]-1-[3-(dimethylamino)propylsulfonyl]-4-oxopiperidin-3-ylidene]methyl]benzonitrile

CAS Number	2376297-69-5
PubChem CID	139476669
IUPAC Name	4-[(E)-[(5E)-5-[(4-cyanophenyl)methylidene]-1-[3-(dimethylamino)propylsulfonyl]-4-oxopiperidin-3-ylidene]methyl]benzonitrile
Molecular Formula	C26H26N4O3S
Molecular Weight	474.6
XLogP	2.7
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	932

SMILES

CN(CCCS(=O)(=O)N1C/C(=C\C2=CC=C(C=C2)C#N)/C(=O)/C(=C/C3=CC=C(C=C3)C#N)/C1)C

InChI

InChI=1S/C26H26N4O3S/c1-29(2)12-3-13-34(32,33)30-18-24(14-20-4-8-22(16-27)9-5-20)26(31)25(19-30)15-21-6-10-23(17-28)11-7-21/h4-11,14-15H,3,12-13,18-19H2,1-2H3/b24-14+,25-15+

InChIKey

ACOAFAKBTXAOQG-KOJZRSEWSA-N

Chemical Structure

2D Structure

CAS: 2376297-69-5

CID: 139476669

Formula: C26H26N4O3S

MW: 474.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	474.6
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	474.17256188
Monoisotopic Mass	474.17256188
Topological Polar Surface Area	114 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	932
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-169779-01	PTX80

PTX80

Chemical Information

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