LY-333531 hydrochloride, protein kinase Cbeta inhibitor

Key facts

CAS number

169939-93-9

Purity

>98%

Form

Solid

form

Molecular weight

505 Da

Molecular formula

C₂₈H₂₉ClN₄O₃

PubChem

9870785

Nature

Synthetic

Solubility

Soluble in DMSO to 20 mM

Biochemical name

Ruboxistaurin Hydrochloride

Biological description

Potent, isozyme-selective inhibitor of protein kinase Cβ (PKCβ). Competitively inhibits PKCßI and PKCßII (IC₅₀ values are 4.7 and 5.9 nM respectively). 76- and 61-fold selective for inhibition of PKCßI and PKCßII in comparison to PKCα, respectively. Exhibits selectivity for PKC over other ATP-dependent kinases, including protein kinase A, casein kinase and src).

Canonical smiles

CN(C)CC1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O.Cl

Isomeric smiles

CN(C)C[C@@H]1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O.Cl

InChi

InChI=1S/C28H28N4O3.ClH/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24;/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34);1H/t18-;/m0./s1

InChiKey

NYQIEYDJYFVLPO-FERBBOLQSA-N

IUPAC Name

(18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione;hydrochloride