WRR139

CAT: 0013-GTR19219151-02Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19219151-02Size:1 mg

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Description

WRR139 is a peptide vinyl sulfone inhibitor of cytosolic N-glycanase 1 (NGLY1) and Nrf1. It is utilized in research on inflammation and cancer, where it has been shown in vitro to synergistically enhance the cytotoxicity of proteasome inhibitors like Carfilzomib.

CAS Number

2138924-36-2

Field of Research

Immunology & Inflammation

Smiles

[C@@H] (CCC1=CC=CC=C1) (NC (C=CS (=O) (=O) C2=CC=C (C) C=C2) =O) C (NCCC (C) C) =O

Molecular Formula

C25H32N2O4S

Molecular Weight

456.6

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Tosylacrylamido)butanamide

CAS Number	2138924-36-2
PubChem CID	135300204
IUPAC Name	(2S)-N-(3-methylbutyl)-2-[[(E)-3-(4-methylphenyl)sulfonylprop-2-enoyl]amino]-4-phenylbutanamide
Molecular Formula	C25H32N2O4S
Molecular Weight	456.6
XLogP	4.3
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Heavy Atom Count	32
Formal Charge	0
Complexity	713

SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C=C/C(=O)N[C@@H](CCC2=CC=CC=C2)C(=O)NCCC(C)C

InChI

InChI=1S/C25H32N2O4S/c1-19(2)15-17-26-25(29)23(14-11-21-7-5-4-6-8-21)27-24(28)16-18-32(30,31)22-12-9-20(3)10-13-22/h4-10,12-13,16,18-19,23H,11,14-15,17H2,1-3H3,(H,26,29)(H,27,28)/b18-16+/t23-/m0/s1

InChIKey

BLEQGDOEDLJWCG-NGIFANIDSA-N

Chemical Structure

2D Structure

CAS: 2138924-36-2

CID: 135300204

Formula: C25H32N2O4S

MW: 456.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	456.6
XLogP3	4.3
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	11
Exact Mass	456.20827868
Monoisotopic Mass	456.20827868
Topological Polar Surface Area	101 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	713
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T80771-01	WRR139

WRR139

Chemical Information

Alternative Products

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