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IHMT-MST1-39

CAT: 0804-HY-164595-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-164595-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
IHMT-MST1-39 is an orally active inhibitor for MST kinase, with IC50 of 42, 109, 286, 159 nM for MST1, MST2, MST3, MST4. IHMT-MST1-39 activates the AMPK signaling pathway in liver cells, reduces apoptosis of pancreatic β-cells. IHMT-MST1-39 can be used for the studies of type 1 diabetes (T1D) and type 2 diabetes (T2D) [1].
CAS Number
2414484-01-6
UNSPSC
12352005
Target
AMPK; Apoptosis; Hippo (MST)
Type
Reference compound
Related Pathways
Apoptosis; Epigenetics; PI3K/Akt/mTOR; Stem Cell/Wnt
Applications
Metabolism-sugar/lipid metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/ihmt-mst1-39.html
Purity
99.68
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
O=C1N(C)C2=CN=C(NC3=CC=C(S(=O)(N)=O)C=C3)N=C2N(C1C4=C(F)C=CC=C4F)C
Molecular Formula
C20H18F2N6O3S
Molecular Weight
460.46
References & Citations
[1]Wang J, et al. Discovery of IHMT-MST1-39 as a novel MST1 kinase inhibitor and AMPK activator for the treatment of diabetes mellitus. Signal Transduct Target Ther. 2023 Apr 5;8 (1) :143.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MST1; MST2; MST3; MST4

Chemical Information

Ihmt-mst1-39
CAS Number2414484-01-6
PubChem CID153529289
IUPAC Name4-[[7-(2,6-difluorophenyl)-5,8-dimethyl-6-oxo-7H-pteridin-2-yl]amino]benzenesulfonamide
Molecular FormulaC20H18F2N6O3S
Molecular Weight460.5
XLogP2.2
Topological Polar Surface Area130
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity781
SMILES
CN1C(C(=O)N(C2=CN=C(N=C21)NC3=CC=C(C=C3)S(=O)(=O)N)C)C4=C(C=CC=C4F)F
InChI
InChI=1S/C20H18F2N6O3S/c1-27-15-10-24-20(25-11-6-8-12(9-7-11)32(23,30)31)26-18(15)28(2)17(19(27)29)16-13(21)4-3-5-14(16)22/h3-10,17H,1-2H3,(H2,23,30,31)(H,24,25,26)
InChIKey
OOEJZUUVEWCSEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ihmt-mst1-39
CAS: 2414484-01-6
CID: 153529289
Formula: C20H18F2N6O3S
MW: 460.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight460.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass460.11291596
Monoisotopic Mass460.11291596
Topological Polar Surface Area130 Ų
Heavy Atom Count32
Formal Charge0
Complexity781
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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