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MELK-8a (hydrochloride)

CAT: 0804-HY-100368A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100368A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MELK-8a hydrochloride is a novel maternal embryonic leucine zipper kinase (MELK) inhibitor with an IC50 of 2 nM.
CAS Number
2096992-20-8
Product Name Alternative
NVS-MELK8a (hydrochloride)
UNSPSC
12352005
Target
MELK
Type
Reference compound
Related Pathways
PI3K/Akt/mTOR
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/MELK-8a-hydrochloride.html
Purity
99.31
Solubility
DMSO : 8.6 mg/mL (ultrasonic; warming) |H2O : ≥ 100 mg/mL
Smiles
CN(CC1)CCN1C2=CC=C(N3C=C(C4=CC=NC=C4OCC5CCNCC5)C=N3)C=C2.Cl
Molecular Formula
C25H33ClN6O
Molecular Weight
469.02
References & Citations
[1]Touré BB, et al. Toward the Validation of Maternal Embryonic Leucine Zipper Kinase: Discovery, Optimization of Highly Potent and Selective Inhibitors, and Preliminary Biology Insight. J Med Chem. 2016 May 26;59 (10) :4711-23.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

MELK-8a hydrochloride
CAS Number2096992-20-8
PubChem CID126843227
IUPAC Name1-methyl-4-[4-[4-[3-(piperidin-4-ylmethoxy)-4-pyridinyl]pyrazol-1-yl]phenyl]piperazine;hydrochloride
Molecular FormulaC25H33ClN6O
Molecular Weight469.0
Topological Polar Surface Area58.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity557
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)N3C=C(C=N3)C4=C(C=NC=C4)OCC5CCNCC5.Cl
InChI
InChI=1S/C25H32N6O.ClH/c1-29-12-14-30(15-13-29)22-2-4-23(5-3-22)31-18-21(16-28-31)24-8-11-27-17-25(24)32-19-20-6-9-26-10-7-20;/h2-5,8,11,16-18,20,26H,6-7,9-10,12-15,19H2,1H3;1H
InChIKey
AFGMSRRNYDSRPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MELK-8a hydrochloride
CAS: 2096992-20-8
CID: 126843227
Formula: C25H33ClN6O
MW: 469.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.0
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass468.2404374
Monoisotopic Mass468.2404374
Topological Polar Surface Area58.5 Ų
Heavy Atom Count33
Formal Charge0
Complexity557
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
C04499MELK-8a hydrochloride
A21751-200MELK-8a hydrochloride 200mg
A21751-1MELK-8a hydrochloride 1mg
A21751-100MELK-8a hydrochloride 100mg
A21751-50MELK-8a hydrochloride 50mg
A21751-25MELK-8a hydrochloride 25mg
A21751-5MELK-8a hydrochloride 5mg
A21751-10MELK-8a hydrochloride 10mg
A21751-2MELK-8a hydrochloride 2mg
A21751-10mM-DMELK-8a hydrochloride 10mM * 1mL in DMSO

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