YL5084

CAT: 0013-GTR19220862-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19220862-02Size:50 mg

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

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Description

YL5084 is a covalent inhibitor with high selectivity for JNK2 (IC50 = 70 nM) and JNK3 (IC50 = 84 nM) over JNK1. It exhibits antiproliferative and pro-apoptotic activities in cellular models, which are reported to be independent of its JNK2 inhibitory function, making it a useful research tool for studying JNK isoform-specific signaling.

CAS Number

2440199-73-3

Field of Research

Cell Biology, Signal Transduction

Smiles

N (C=1N=C (C=2C (=NN3C2C=CC=C3) C4=CC=CC=C4) C=CN1) [C@@H]5CN (C (=O) C6=CC=C (NC (/C=C/CN (C) C) =O) C=C6) C[C@@H]5C

Molecular Formula

C35H36N8O2

Molecular Weight

600.71

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

YL5084

covalent inhibitor of c-Jun N-terminal protein kinase (JNK) 2/3

CAS Number	2440199-73-3
PubChem CID	153610906
IUPAC Name	(E)-4-(dimethylamino)-N-[4-[(3S,4S)-3-methyl-4-[[4-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)pyrimidin-2-yl]amino]pyrrolidine-1-carbonyl]phenyl]but-2-enamide
Molecular Formula	C35H36N8O2
Molecular Weight	600.7
XLogP	4.2
Topological Polar Surface Area	108
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Heavy Atom Count	45
Formal Charge	0
Complexity	1010

SMILES

C[C@H]1CN(C[C@H]1NC2=NC=CC(=N2)C3=C4C=CC=CN4N=C3C5=CC=CC=C5)C(=O)C6=CC=C(C=C6)NC(=O)/C=C/CN(C)C

InChI

InChI=1S/C35H36N8O2/c1-24-22-42(34(45)26-14-16-27(17-15-26)37-31(44)13-9-20-41(2)3)23-29(24)39-35-36-19-18-28(38-35)32-30-12-7-8-21-43(30)40-33(32)25-10-5-4-6-11-25/h4-19,21,24,29H,20,22-23H2,1-3H3,(H,37,44)(H,36,38,39)/b13-9+/t24-,29+/m0/s1

InChIKey

FVONQZQMUHLATI-PIAHHGHBSA-N

Chemical Structure

2D Structure

CAS: 2440199-73-3

CID: 153610906

Formula: C35H36N8O2

MW: 600.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	600.7
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	9
Exact Mass	600.29612242
Monoisotopic Mass	600.29612242
Topological Polar Surface Area	108 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	1010
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-149930	YL5084

YL5084

Chemical Information

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