Basic Description

Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	iMDK is a potent PI3K inhibitor and inhibits the growth factor MDK (also known as midkine or MK). iMDK suppresses non-small cell lung cancer (NSCLC) cooperatively with A MEK inhibitor without harming normal cells and mice.
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	iMDK is a potent PI3K inhibitor and inhibits the growth factor MDK (also known as midkine or MK). iMDK suppresses non-small cell lung cancer (NSCLC) cooperatively with A MEK inhibitor without harming normal cells and mice. In Vitro iMDK (50–500 nM) suppressed AKT phosphorylation in a dose-dependent manner in H441 lung adenocarcinoma cells after treatment for 72 h. In contrast, iMDK robustly increases p-ERK. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability AssayCell Line: H441 (lung adenocarcinoma; KRAS G12V ), H2009 (non-small cell carcinoma; KRAS G12A ), A549 (lung carcinoma; KRAS G12S ) and H520 (lung squamous cell carcinoma; KRAS WT ) Concentration: iMDK (2.5 μM) and PD0325901 (0.5 μM) for H441 and H2009 cells iMDK (0.125 μM) and PD0325901 (0.25 μM) for H520 cells iMDK (0.25 μM) and PD0325901 (0.125 μM) for A549 cells Incubation Time: 72 hours Result: iMDK alone did not inhibit cell viability of A549 cells, the combinatorial treatment of iMDK with PD0325901 significantly inhibited that of A549 cells compared to the single treatment of PD0325901. Western Blot AnalysisCell Line: H441 lung adenocarcinoma cells Concentration: 0-500 nM Incubation Time: 72 hours Result: Suppressed AKT phosphorylation in a dose-dependent manner. ERK1/2 phosphorylation was increased. In Vivo The combination treatment of iMDK ( (9 mg/kg/day; intraperitoneally injected with 100 μl) and PD0325901 (5 mg/kg; orally administered) effectively reduced lung tumor growth in a xenograft mouse model . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: female BALB/c nude mice (6 week old) bearing H441 human lung cancer xenografts Dosage: iMDK (9 mg/kg) and PD0325901 (5 mg/kg) Administration: Intraperitoneally injected with 100 μL iMDK everyday and/or orally administered PD0325901 five times per week (on days 1, 2, 3, 4, 5, 7, 8, 9, 10, 11) Result: Reduced significantly volume of the tumors derived from H441 lung adenocarcinoma cells after the combination treatment with iMDK and PD0325901 compared to that of single compound in a xenograft mouse model. Form:Solid

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Phenylpropanoids and polyketides
  - Class Coumarins and derivatives

Kingdom	Organic compounds
Superclass	Phenylpropanoids and polyketides
Class	Coumarins and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Coumarins and derivatives
Alternative Parents	1-benzopyrans Pyranones and derivatives Fluorobenzenes N-substituted imidazoles Aryl fluorides Thiazoles Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Coumarin - 1-benzopyran - Benzopyran - Halobenzene - Pyranone - Fluorobenzene - N-substituted imidazole - Aryl fluoride - Aryl halide - Pyran - Benzenoid - Monocyclic benzene moiety - Thiazole - Azole - Imidazole - Heteroaromatic compound - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

PTH1R Tclin Parathyroid hormone receptor (47172 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MTOR Tclin Serine/threonine-protein kinase mTOR (13850 Activities)

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TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

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HEK293 (82097 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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ERG Tbio Transcriptional regulator ERG (5589 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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Associated Targets(non-human)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

Discover Target: Nfe2l2

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	3-[2-[(4-fluorophenyl)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]chromen-2-one
INCHI	InChI=1S/C21H13FN2O2S/c22-15-7-5-13(6-8-15)9-16-11-24-12-18(23-21(24)27-16)17-10-14-3-1-2-4-19(14)26-20(17)25/h1-8,10-12H,9H2
InChIKey	IWFKQTWYILKFGE-UHFFFAOYSA-N
Smiles	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F
Isomeric SMILES	C1=CC=C2C(=C1)C=C(C(=O)O2)C3=CN4C=C(SC4=N3)CC5=CC=C(C=C5)F
PubChem CID	15991416
Molecular Weight	376.4

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

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

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 3.33 mg/mL (8.85 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight	376.400 g/mol
XLogP3	5.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	376.068 Da
Monoisotopic Mass	376.068 Da
Topological Polar Surface Area	71.800 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	607.000
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

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SKU	Size	Availability	Price
I648515-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$160.90
I648515-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$250.90
I648515-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$550.90
I648515-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$950.90

iMDK - 99%, high purity , CAS No.881970-80-5