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DMX-5804

CAT: 0013-GTR19169692-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19169692-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
DMX-5804 is a highly potent and selective MAP4K4 inhibitor exhibiting an IC50 of 3 nM. This compound has been shown to promote cardiomyocyte survival in vitro and demonstrates cardioprotective effects by mitigating ischemia-reperfusion injury in murine models.
CAS Number
2306178-56-1
Product Name Alternative
MAPK Kinase Kinase Kinase, MAP4K, MAP4K4, MAP4K6, Inhibitor, inhibit, MINK1, DMX 5084, DMX 5804, DMX5084, DMX-5084, DMX5804, DMX-5804
Field of Research
Signal Transduction
Purity
99.34% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (11.07 mM) ; DMSO:125 mg/mL (345.89 mM)
Smiles
COCCOc1ccc (cc1) -c1cn (-c2ccccc2) c2nc[nH]c (=O) c12
Molecular Formula
C21H19N3O3
Molecular Weight
361.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[4-(2-methoxyethoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CAS Number2306178-56-1
PubChem CID137334091
IUPAC Name5-[4-(2-methoxyethoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
Molecular FormulaC21H19N3O3
Molecular Weight361.4
XLogP2.9
Topological Polar Surface Area64.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity527
SMILES
COCCOC1=CC=C(C=C1)C2=CN(C3=C2C(=O)NC=N3)C4=CC=CC=C4
InChI
InChI=1S/C21H19N3O3/c1-26-11-12-27-17-9-7-15(8-10-17)18-13-24(16-5-3-2-4-6-16)20-19(18)21(25)23-14-22-20/h2-10,13-14H,11-12H2,1H3,(H,22,23,25)
InChIKey
FUSHFOGORKZNNQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-[4-(2-methoxyethoxy)phenyl]-7-phenyl-3H-pyrrolo[2,3-d]pyrimidin-4-one
CAS: 2306178-56-1
CID: 137334091
Formula: C21H19N3O3
MW: 361.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight361.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count6
Exact Mass361.14264148
Monoisotopic Mass361.14264148
Topological Polar Surface Area64.9 Ų
Heavy Atom Count27
Formal Charge0
Complexity527
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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