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XMD8-92

CAT: 0013-GTR19177988-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177988-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
XMD8-92 is a potent and selective small-molecule inhibitor of BMK1/ERK5, exhibiting a high-affinity binding dissociation constant (Kd) of 80 nM. This compound is a valuable research tool for investigating the ERK5 signaling pathway in both cellular and animal models, particularly in studies related to cancer, cardiovascular biology, and inflammation.
CAS Number
1234480-50-2
Product Name Alternative
Cancer, bFGF, BMI-1, BMI1, inhibit, Extracellular signal regulated kinases, ERK, Epigenetic Reader Domain, EpigeneticReaderDomain, HMEC, leukemia, Inhibitor, protein, promyelocytic, XMD892, XMD-8-92, XMD8-92, XMD8 92
Field of Research
Cell Biology, Epigenetics & Chromatin, Metabolism Research, Molecular Biology, Neuroscience, Signal Transduction
Purity
98.19% (May vary between batches)
Solubility
DMSO:19 mg/mL (40.04 mM) ;10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.21 mM)
Smiles
CCOc1cc (ccc1Nc1ncc2N (C) C (=O) c3ccccc3N (C) c2n1) N1CCC (O) CC1
Molecular Formula
C26H30N6O3
Molecular Weight
474.55
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Xmd8-92

XMD8-92 is a dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one carrying at C-2 on the pyrimidine ring a [2-ethoxy-4-(4-hydroxypiperidin-1-yl)phenyl]amino substituent. It is an inhibitor of the BMK1 kinase pathway. It has a role as a protein kinase inhibitor.

CAS Number1234480-50-2
PubChem CID46843772
IUPAC Name2-[2-ethoxy-4-(4-hydroxypiperidin-1-yl)anilino]-5,11-dimethylpyrimido[4,5-b][1,4]benzodiazepin-6-one
Molecular FormulaC26H30N6O3
Molecular Weight474.6
XLogP3.5
Topological Polar Surface Area94.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity719
SMILES
CCOC1=C(C=CC(=C1)N2CCC(CC2)O)NC3=NC=C4C(=N3)N(C5=CC=CC=C5C(=O)N4C)C
InChI
InChI=1S/C26H30N6O3/c1-4-35-23-15-17(32-13-11-18(33)12-14-32)9-10-20(23)28-26-27-16-22-24(29-26)30(2)21-8-6-5-7-19(21)25(34)31(22)3/h5-10,15-16,18,33H,4,11-14H2,1-3H3,(H,27,28,29)
InChIKey
QAPAJIZPZGWAND-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Xmd8-92
CAS: 1234480-50-2
CID: 46843772
Formula: C26H30N6O3
MW: 474.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight474.6
XLogP33.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass474.23793884
Monoisotopic Mass474.23793884
Topological Polar Surface Area94.1 Ų
Heavy Atom Count35
Formal Charge0
Complexity719
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
HY-14443-01XMD8-92
A11609-5XMD8-92 5mg
A11609-100XMD8-92 100mg
A11609-50XMD8-92 50mg
A11609-25XMD8-92 25mg
A11609-10XMD8-92 10mg
A11609-10mM-DXMD8-92 10mM * 1mL in DMSO
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T3709-01XMD8-87

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