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2250323-50-1

2250323-50-1 Structure

2250323-50-1 Structure
IdentificationBack Directory
[Name]

JWG-071
[CAS]

2250323-50-1
[Synonyms]

JWG-071
6H-Pyrimido[4,5-b][1,4]benzodiazepin-6-one, 5,11-dihydro-2-[[2-methoxy-4-[[4-(4-methyl-1-piperazinyl)-1-piperidinyl]carbonyl]phenyl]amino]-5-methyl-11-(1-methylpropyl)-
[Molecular Formula]

C34H44N8O3
[MOL File]

2250323-50-1.mol
[Molecular Weight]

612.77
Chemical PropertiesBack Directory
[Boiling point ]

801.7±75.0 °C(Predicted)
[density ]

1.238±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

Soluble in DMSO
[form ]

Solid
[pka]

8.14±0.42(Predicted)
[color ]

Light yellow to yellow
[InChIKey]

ACWOMSOYIIVIRV-UHFFFAOYSA-N
[SMILES]

N1(C(C)CC)C2=CC=CC=C2C(=O)N(C)C2=CN=C(NC3=CC=C(C(N4CCC(N5CCN(C)CC5)CC4)=O)C=C3OC)N=C12
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

JWG-071 is the kinase-selective chemical probe for ERK5. JWG-071 inhibits ERK5 and LRRK2 with IC50 values of 88nM and 109 nM, respectively[1].
[Biological Activity]

JWG-071 is the first reported ERK5 kinase-selective chemical probe which can increases ERK5 activity and BRD4 selectivity. It will be a much-needed chemical probe for deconvoluted ERK5 and BRD4 pharmacology.
[in vitro]

JWG-071 inhibits ERK5 and LRRK2 with IC 50 of 88 and 109 nM, respectively.

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[target]

ERK5

88 nM (IC 50 )

[IC 50]

ERK5: 88 nM (IC50)
[References]

[1] Wang J, et al. Structural and Atropisomeric Factors Governing the Selectivity of Pyrimido-benzodiazipinonesas Inhibitors of Kinases and Bromodomains. ACS Chem Biol. 2018 Sep 21;13(9):2438-2448 DOI:10.1021/acschembio.7b00638
Spectrum DetailBack Directory
[Spectrum Detail]

JWG-071(2250323-50-1)1HNMR
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