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2061980-01-4

2061980-01-4 Structure

2061980-01-4 Structure
IdentificationBack Directory
[Name]

XMU-MP-1
[CAS]

2061980-01-4
[Synonyms]

CS-2590
XMU-MP-1
PubChem ID: 121499143
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
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
Benzenesulfonamide, 4-[(6,10-dihydro-5,10-dimethyl-6-oxo-5H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-2-yl)amino]-
[Molecular Formula]

C17H16N6O3S2
[MDL Number]

MFCD30377214
[MOL File]

2061980-01-4.mol
[Molecular Weight]

416.48
Chemical PropertiesBack Directory
[Boiling point ]

714.8±70.0 °C(Predicted)
[density ]

1.523±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

≥41.6 mg/mL in DMSO with gentle warming; insoluble in H2O; insoluble in EtOH
[form ]

powder
[pka]

9.77±0.12(Predicted)
[color ]

white to beige
[InChI]

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)
[InChIKey]

YRDHKIFCGOZTGD-UHFFFAOYSA-N
[SMILES]

C1(S(N)(=O)=O)=CC=C(NC2=NC=C3C(=N2)N(C)C2C=CSC=2C(=O)N3C)C=C1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302
[Precautionary statements ]

P280-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

XMU-MP-1 is an inhibitor of the pro-apoptotic, sterile 20-like kinases MST1 and 2 (IC50s = 71.1 and 38.1 nM, respectively). It is selective for MST1 and 2 over a panel of 468 kinases at a concentration of 1 μM. XMU-MP-1 inhibits phosphorylation of MOB1, LATS1 and 2, and YAP in HepG2 cells as well as MST1 and 2 autophosphorylation in RAW 264.7, U2OS, SW480, RPE1, SNU423, and HepG2 cells in a concentration-dependent manner. It also prevents cell death induced by overexpression of MST2. XMU-MP-1 (1 mg/kg) enhances liver regeneration in mice post partial hepatectomy and reduces liver fibrosis in a mouse model of chronic liver injury.
[Uses]

XMU-?MP-?1 an MST1/2 inhibitor.
[storage]

Store at -20°C
[References]

1. fuqin fan, zhixiang he, lu-lu kong, et al. pharmacological targeting of kinases mst1 and mst2 augments tissue repair and regeneration. science translational medicine 17 aug 2016: vol. 8, issue 352, pp. 352ra108.
Spectrum DetailBack Directory
[Spectrum Detail]

XMU-MP-1(2061980-01-4)1HNMR
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