Delgocitinib is a novel and specific inhibitor of JAK (IC50s: 2.8, 2.6, 13 and 58 nM for JAK1, JAK2, JAK3 and Tyk2, respectively) .

 

Brand: BCM

 

pKa: -0.65±0.40(Predicted)

 

Signaling Pathways: Angiogenesis; Chromatin/Epigenetic; JAK/STAT signaling; Stem Cells; Tyrosine Kinase/Adaptors

 

Solubility: Soluble in DMSO; soluble in Water; soluble in Ethanol.

 

Target Activity: JAK2:2.6 nM, JAK1:2.8 nM, Tyk2:58 nM, JAK3:13 nM

 

Isomeric SMILES: C[C@H]1CN([C@]12CCN(C2)C3=NC=NC4=C3C=CN4)C(=O)CC#N  

 

InChIKey: LOWWYYZBZNSPDT-ZBEGNZNMSA-N  

 

InChI: InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1 

 

Attribute
[Chem Name]	3-[(3S,4R)-3-methyl-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,7-diazaspiro[3.4]octan-1-yl]-3-oxopropanenitrile
[Synonym]	Delgocitinib; JTE-052; Corectim
[CAS No.]	1263774-59-9
[MDL No.]	MFCD31630732
[Formula]	C16H18N6O
[Molecular]	310.35
[Form]	White to off-white solid
[Storage]	Powder: -20°C 3 years

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