SML2233

XMU-MP-1 hydrochloride

≥98% (HPLC)

• Synonym(s): 4-((5,10-Dimethyl-6-oxo-6,10-dihydro-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino)benzenesulfonamide hydrochloride, 4-[(6,10-Dihydro-5,10-dimethyl-6-oxo-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]benzenesulfonamide hydrochoride
• Empirical Formula (Hill Notation): C₁₇H₁₆N₆O₃S₂ · xHCl
• CAS Number: 2061980-01-4
• Molecular Weight: 416.48 (free base basis)
• MDL number: MFCD30377214
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Assay: ≥98% (HPLC)
• form: powder
• storage condition: desiccated
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear (warmed)
• storage temp.: −20°C
• SMILES string: CN(C1=CN=C(NC2=CC=C(S(N)(=O)=O)C=C2)N=C1N(C)C3=C4SC=C3)C4=O
• InChI: 1S/C17H16N6O3S2/c1-22-12-7-8-27-14(12)16(24)23(2)13-9-19-17(21-15(13)22)20-10-3-5-11(6-4-10)28(18,25)26/h3-9H,1-2H3,(H2,18,25,26)(H,19,20,21)
• InChI key: YRDHKIFCGOZTGD-UHFFFAOYSA-N

Description

Biochem/physiol Actions

XMU-MP-1 inhibits MST kinase activity (IC50 = 9.8 nM/MST1, 18.2 nM/MST2, 44.8 nM/MST3, 27.3 nM/MST4) in a reversible and ATP-competitive manner (MST1 IC50/[ATP] = 164 nM/10 μM and 4036 nM/300 μM; MST2 IC50/[ATP] = 34 nM/10 μM and 1498 nM/300 μM), exhibiting significant affinity and/or inhibitory potency toward only 17 other kinases among a panel of 468 (401 unique kinases). XMU-MP-1 selectively inhibits H2O2-stimulated MST autophosphorylation and phosphorylation of endogenous MST1/2 substrates (MOB1, LATS, YAP), but not JNK, in human and murine cells (Effective conc. 1 μM), effectively upregulating YAP nuclear localization and protecting HepG2 cells (3 μM) against MST2 overexpression-induced cell death. XMU-MP-1 exhibits in vivo efficacy toward liver and intestinal repair and regeneration in various murine models (1-3 mg/kg/day i.p.) and oral availability in rats (t1/2 = 5.18 h, Tmax = 3 h, AUC = 993 ng•h/mL, F = 39.48%; 10 mg/mL p.o.).

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable