DMU-2105 | CAS#1031063-36-1

MedKoo Cat#: 555863 | Name: DMU-2105

Description:

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

DMU-2105 is a potent and selective CYP1B1 inhibitor with IC50s of 10 nM and 742 nM for CYP1B1 and CYP1A1, respectively. DMU-2105 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

DMU-2105

CAS#1031063-36-1

Theoretical Analysis

MedKoo Cat#: 555863

Name: DMU-2105

CAS#: 1031063-36-1

Chemical Formula: C18H13NO

Exact Mass: 259.0997

Molecular Weight: 259.31

Elemental Analysis: C, 83.37; H, 5.05; N, 5.40; O, 6.17

Price and Availability

Size	Price	Availability
100mg	USD 650.00	2 Weeks
200mg	USD 1,050.00	2 Weeks
500mg	USD 1,850.00	2 Weeks
1g	USD 3,250.00	2 Weeks

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Related CAS #

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Synonym

DMU-2105; DMU 2105; DMU2105;

IUPAC/Chemical Name

3-(2-Naphthalenyl)-1-(3-pyridinyl)-2-propen-1-one

InChi Key

VWBDGXJRQZDLRV-CSKARUKUSA-N

InChi Code

InChI=1S/C18H13NO/c20-18(17-6-3-11-19-13-17)10-8-14-7-9-15-4-1-2-5-16(15)12-14/h1-13H/b10-8+

SMILES Code

O=C(C1=CC=CN=C1)/C=C/C2=CC=C3C=CC=CC3=C2

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

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

Instruction

View handling instruction

Biological target:

DMU2105 is a potent and specific inhibitor of CYP1B1 with IC50 of 10 nM.

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™. Both compounds also potently inhibit CYP1B1 expressed within 'live' recombinant yeast and human HEK293 kidney cells with IC50 values of 63, 65, and 4, 4 nM, respectively. Reference: Eur J Med Chem. 2017 Mar 31;129:159-174.

In vivo activity:

TBD

	Solvent	mg/mL	mM
Solubility
	DMSO	25.0	96.41
	Ethanol	2.0	7.71

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 259.31 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.