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XMU-MP-1 2mg

CAT: 0628-A16228-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A16228-2Size:2 mg
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CAS Number
2061980-01-4

Chemical Information

Xmu-MP-1

XMU-MP-1 is an organic heterotricyclic compound that is 5,10-dihydro-6H-pyrimido[5,4-b]thieno[3,2-e][1,4]diazepin-6-one substituted by (4-sulfamoylphenyl)amino, methyl and methyl groups at positions 2, 5 and 10, respectively. It is an inhibitor of the Hippo pathway kinases MST1 and MST2 (IC50 = 71.1 and 38.1 nM, respectively). It has a role as a bone density conservation agent, an EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor, a hepatoprotective agent and a cardioprotective agent. It is an organic heterotricyclic compound, a sulfonamide, a secondary amino compound and a tertiary amino compound.

CAS Number2061980-01-4
PubChem CID121499143
IUPAC Name4-[(2,9-dimethyl-8-oxo-6-thia-2,9,12,14-tetrazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaen-13-yl)amino]benzenesulfonamide
Molecular FormulaC17H16N6O3S2
Molecular Weight416.5
XLogP1.8
Topological Polar Surface Area158
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity693
SMILES
CN1C2=C(C(=O)N(C3=CN=C(N=C31)NC4=CC=C(C=C4)S(=O)(=O)N)C)SC=C2
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
Chemical Structure
2D Structure
2D structure of Xmu-MP-1
CAS: 2061980-01-4
CID: 121499143
Formula: C17H16N6O3S2
MW: 416.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight416.5
XLogP31.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass416.07253074
Monoisotopic Mass416.07253074
Topological Polar Surface Area158 Ų
Heavy Atom Count28
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C13351-10mM/1mLXMU-MP-1
6482/10XMU MP 1
468878-01XMU-​MP-​1

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