Synonym: 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
CAS Number: 2061980-01-4 (free base)
Empirical Formula (Hill Notation): C17H16N6O3S2 · xHCl
Molecular Weight: 416.48 (free base basis)
MDL Number: MFCD30377214
Linear Formula: C17H16N6O3S2 · xHCl
Product Type: Chemical
| assay |
≥98% (HPLC) |
| color |
white to beige |
| form |
powder |
| SMILES string |
CN(C1=CN=C(NC2=CC=C(S(N)(=O)=O)C=C2)N=C1N(C)C3=C4SC=C3)C4=O |
| solubility |
DMSO: 2 mg/mL, clear (warmed) |
| storage temp. |
−20°C |
| 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.). |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
−20°C |
| UNSPSC |
12352200 |
