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MELK-IN-1 - 98%, high purity , CAS No.2095596-44-2

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
M646879
Grouped product items
SKU Size
Availability
 Price Qty
M646879-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$150.90
M646879-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$250.90
M646879-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$550.90
M646879-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$950.90
M646879-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,550.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
MELK (11) PI3K/Akt/mTOR (765)

Basic Description

Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms MELK-IN-1 is a potent inhibitor of maternal embryonic leucine zipper kinase (MELK) with an IC 50 and a K i of 3 nM and 0.39 nM, respectively.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description

MELK-IN-1 is a potent inhibitor of maternal embryonic leucine zipper kinase (MELK) with an IC 50 and a K i of 3 nM and 0.39 nM, respectively.

Form:Solid

IC50& Target:IC50: 3 nM (MELK) Ki: 0.39 nM (MELK)

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Indoles and derivatives
Subclass Indolecarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct Parent Indolecarboxylic acids
Alternative Parents N-piperazineacetamides  Hydroxyindoles  Alpha amino acids and derivatives  Indoles  Anilides  N-methylpiperazines  Substituted pyrroles  Tertiary carboxylic acid amides  Secondary ketimines  Methyl esters  Heteroaromatic compounds  Azomethines  Trialkylamines  Propargyl-type 1,3-dipolar organic compounds  Monocarboxylic acids and derivatives  Azacyclic compounds  Organopnictogen compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Indolecarboxylic acid - Hydroxyindole - N-piperazineacetamide - Alpha-amino acid or derivatives - Anilide - Indole - N-alkylpiperazine - N-methylpiperazine - Benzenoid - Substituted pyrrole - Piperazine - 1,4-diazinane - Monocyclic benzene moiety - Heteroaromatic compound - Methyl ester - Tertiary carboxylic acid amide - Secondary ketimine - Pyrrole - Azomethine - Tertiary aliphatic amine - Tertiary amine - Ketimine - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Carbonyl group - Amine - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as indolecarboxylic acids. These are compounds containing a carboxylic acid group linked to an indole.
External Descriptors Not available

Associated Targets(Human)

CHEK1 Tchem Serine/threonine-protein kinase Chk1 (6846 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CAMKK2 Tchem CaM-kinase kinase beta (1281 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF-10A (2462 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
BT-549 (31254 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MELK Tchem Maternal embryonic leucine zipper kinase (3491 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NUAK1 Tchem NUAK family SNF1-like kinase 1 (1769 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HCC70 (557 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
PRKAA2 Tchem AMP-activated protein kinase, AMPK (12273 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name methyl 2-hydroxy-3-[N-[4-[methyl-[2-(4-methylpiperazin-1-yl)acetyl]amino]phenyl]-C-phenylcarbonimidoyl]-1H-indole-5-carboxylate
INCHI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-19-22(31(39)40-3)9-14-26(25)33-30(28)38/h4-14,19,33,38H,15-18,20H2,1-3H3
InChIKey XIMRJNBUWJTLAL-UHFFFAOYSA-N
Smiles CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=C(C=C5)C(=O)OC)O
Isomeric SMILES CN1CCN(CC1)CC(=O)N(C)C2=CC=C(C=C2)N=C(C3=CC=CC=C3)C4=C(NC5=C4C=C(C=C5)C(=O)OC)O
PubChem CID 137248544
Molecular Weight 539.62

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility DMSO : 1 mg/mL (1.85 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight 539.600 g/mol
XLogP3 4.300
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 8
Exact Mass 539.253 Da
Monoisotopic Mass 539.253 Da
Topological Polar Surface Area 101.000 Ų
Heavy Atom Count 40
Formal Charge 0
Complexity 892.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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Products are chemical reagents for research use only and are not intended for human use. We do not sell to patients.
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