DMU2139 | CAS#1821143-80-9 | CYP1B1 inhibitor

MedKoo Cat#: 555864 | Name: DMU2139

Description:

WARNING: This product is for research use only, not for human or veterinary use.

DMU2139 is a potent and specific CYP1B1 inhibitor, with IC50s of 9 nM and 795 nM for CYP1B1 and CYP1A1, respectively. DMU2139 showed a very high level of selectivity towards CYP1B1 with respect to the IC50 values obtained with CYP1A1, CYP1A2, CYP3A4, CYP2D6, CYP2C9 and CYP2C19 Sacchrosomes™.

Chemical Structure

DMU2139

CAS#1821143-80-9

Theoretical Analysis

MedKoo Cat#: 555864

Name: DMU2139

CAS#: 1821143-80-9

Chemical Formula: C19H15NO2

Exact Mass: 289.1103

Molecular Weight: 289.33

Elemental Analysis: C, 78.87; H, 5.23; N, 4.84; O, 11.06

Price and Availability

Size	Price	Availability
10mg	USD 150.00	Ready to ship
25mg	USD 250.00	Ready to ship
50mg	USD 450.00	Ready to ship
100mg	USD 750.00	Ready to ship
200mg	USD 1,250.00	Ready to ship
500mg	USD 2,650.00	Ready to ship
1g	USD 3,650.00	Ready to ship
2g	USD 6,250.00	Ready to ship

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Related CAS #

No Data

Synonym

DMU2139; DMU-2139; DMU 2139;

IUPAC/Chemical Name

(E)-1-(6-methoxynaphthalen-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one

InChi Key

MPDPEUALCUWORP-RUDMXATFSA-N

InChi Code

InChI=1S/C19H15NO2/c1-22-18-8-7-15-11-17(6-5-16(15)12-18)19(21)9-4-14-3-2-10-20-13-14/h2-13H,1H3/b9-4+

SMILES Code

O=C(C1=CC=C2C=C(OC)C=CC2=C1)/C=C/C3=CC=CN=C3.

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.9001

More Info

ADDITIONAL INFORMATION Cytochrome P 450 1B1 (CYP1B1) is a promising target for prevention and therapy of cancer, particularly those with drug resistance, stimulating cancer cell survival, and promoting cancer resistance

Product Data

Product Data

Certificate of Analysis

View CoA: current batch, Lot#C22R01B31

QC Data

View QC data: current batch, Lot#C22R01B31

Safety Data Sheet (SDS)

View Safety Data Sheet (SDS)

Instruction

View handling instruction

Biological target:

DMU2139 is a potent and specific CYP1B1 inhibitor, with IC50s of 9 nM and 795 nM for CYP1B1 and CYP1A1, respectively.

In vitro activity:

Two potent CYP1B1 inhibitors 7k (DMU2105) and 6j (DMU2139) have been identified from two series of synthetic pyridylchalcones. They inhibit human CYP1B1 enzyme bound to yeast-derived microsomes (Sacchrosomes™) with IC50 values of 10 and 9 nM, respectively, and show a very high level of selectivity towards CYP1B1 with respect to the IC50 values obtained with CYP1A1, CYP1A2, CYP3A4, CYP2D6, CYP2C9 and CYP2C19 Sacchrosomes™. Reference: Eur J Med Chem. 2017 Mar 31;129:159-174. https://pubmed.ncbi.nlm.nih.gov/28222316/

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	77.5	267.86
	Ethanol	5.0	17.28

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 289.33 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

Formulation protocol:

1. Horley NJ, Beresford KJ, Chawla T, McCann GJ, Ruparelia KC, Gatchie L, Sonawane VR, Williams IS, Tan HL, Joshi P, Bharate SS, Kumar V, Bharate SB, Chaudhuri B. Discovery and characterization of novel CYP1B1 inhibitors based on heterocyclic chalcones: Overcoming cisplatin resistance in CYP1B1-overexpressing lines. Eur J Med Chem. 2017 Mar 31;129:159-174. doi: 10.1016/j.ejmech.2017.02.016. Epub 2017 Feb 9. PMID: 28222316.

In vitro protocol:

In vivo protocol:

TBD

Horley NJ, Beresford KJ, Chawla T, McCann GJ, Ruparelia KC, Gatchie L, Sonawane VR, Williams IS, Tan HL, Joshi P, Bharate SS, Kumar V, Bharate SB, Chaudhuri B. Discovery and characterization of novel CYP1B1 inhibitors based on heterocyclic chalcones: Overcoming cisplatin resistance in CYP1B1-overexpressing lines. Eur J Med Chem. 2017 Mar 31;129:159-174. doi: 10.1016/j.ejmech.2017.02.016. Epub 2017 Feb 9. PMID: 28222316.