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DMU2105 - 99%, high purity , CAS No.1821143-79-6

COA COA
    Grade & Purity:
  • ≥99%
In stock
Item Number
D651729
Grouped product items
SKU Size
Availability
 Price Qty
D651729-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$150.90
D651729-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$210.90
D651729-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$580.90
D651729-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$990.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet
View related series
Cytochrome P450 (241) Lipid metabolism (1912) Metabolic Enzyme/Protease (4860)

Basic Description

Specifications & Purity ≥99%
Biochemical and Physiological Mechanisms DMU2105 is a potent and specific CYP1B1 inhibitor, with IC 50 s of 10 nM and 742 nM for CYP1B1 and CYP1A1, 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

DMU2105 is a potent and specific CYP1B1 inhibitor, with IC 50 s of 10 nM and 742 nM for CYP1B1 and CYP1A1, respectively.

In Vitro

DMU2105 (Compound 7k) shows 74 and 120-fold selectivity for CYP1B1 over CYP1A1 and CYP1A2. In the presence of DMU2105 however, the EC 50 goes down to 1 μM indicating that the cells have suffered from toxicity which may have been mediated by CYP1B1 inhibition. Un-transfected cells (HEK293: pcDNA3.1), when treated with cisplatin and DMU2105 (10×IC 50 ) do not show any perceptible decrease of cisplatin EC 50 (8.5 μM ± 0.9). MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:CYP1B1 10 nM (IC 50 ) CYP1A1 742 nM (IC 50 )

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Cinnamic acids and derivatives
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Cinnamic acids and derivatives
Alternative Parents Naphthalenes  Styrenes  Aryl ketones  Pyridines and derivatives  Heteroaromatic compounds  Enones  Acryloyl compounds  Azacyclic compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Cinnamic acid or derivatives - Naphthalene - Styrene - Aryl ketone - Pyridine - Benzenoid - Alpha,beta-unsaturated ketone - Acryloyl-group - Enone - Heteroaromatic compound - Ketone - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as cinnamic acids and derivatives. These are organic aromatic compounds containing a benzene and a carboxylic acid group (or a derivative thereof) forming 3-phenylprop-2-enoic acid.
External Descriptors Not available

Associated Targets(Human)

CYP1B1 Tchem Cytochrome P450 1B1 (6 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP1A1 Tchem Cytochrome P450 1A1 (1 Activities)
Activity Type Activity Value -log(M) Mechanism of Action Activity Reference Publications (PubMed IDs)
CYP1B1 Tchem Cytochrome P450 1B1 (1148 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A1 Tchem Cytochrome P450 1A1 (1169 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP1A2 Tchem Cytochrome P450 1A2 (26471 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C9 Tchem Cytochrome P450 2C9 (32119 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP2C19 Tchem Cytochrome P450 2C19 (29246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Staphylococcus aureus (210822 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Staphylococcus epidermidis (22802 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Escherichia coli (133304 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Enterococcus faecalis (29875 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 (E)-3-naphthalen-2-yl-1-pyridin-3-ylprop-2-en-1-one
INCHI 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+
InChIKey VWBDGXJRQZDLRV-CSKARUKUSA-N
Smiles C1=CC=C2C=C(C=CC2=C1)C=CC(=O)C3=CN=CC=C3
Isomeric SMILES C1=CC=C2C=C(C=CC2=C1)/C=C/C(=O)C3=CN=CC=C3
Molecular Weight 259.30
Reaxy-Rn 35887540
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35887540&ln=

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

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

Chemical and Physical Properties

Solubility DMSO : 33.33 mg/mL (128.54 mM; ultrasonic and warming and heat to 60°C)
Molecular Weight 259.300 g/mol
XLogP3 3.900
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 2
Rotatable Bond Count 3
Exact Mass 259.1 Da
Monoisotopic Mass 259.1 Da
Topological Polar Surface Area 30.000 Ų
Heavy Atom Count 20
Formal Charge 0
Complexity 362.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 1
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

Customer Reviews

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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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