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BCI-215 - 99%, high purity , CAS No.1245792-67-9

COA

Grade & Purity:

≥99%

Cas Number: 1245792-67-9
Molecular Weight: 396.3
PubChem CID: 46912328

In stock

Item Number

B649845

Grouped product items
SKU	Size	Availability	Price
B649845-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$166.90
B649845-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$350.90
B649845-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$550.90
B649845-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,650.90

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Glucose Metabolism (1943) Metabolic Enzyme/Protease (4860) Phosphatase (222)

Basic Description

Synonyms	(2E)-2-benzylidene-5-bromo-3-(cyclohexylamino)-3H-inden-1-one \| 1245792-67-9 \| 1H-Inden-1-one, 5-bromo-3-(cyclohexylamino)-2,3-dihydro-2-(phenylmethylene)-, (2E)- \| D81258 \| HY-121087 \| BCI-215 \| SCHEMBL6984391 \| C22H22BrNO \| DTXSID701135398 \| EX-A3609 \|
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	BCI-215 is a potent and tumor cell-selective dual specificity MAPK phosphatase (DUSP-MKP) inhibitor. BCI-215 has cytotoxicity for tumor cells but not normal cells.
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	BCI-215 is a potent and tumor cell-selective dual specificity MAPK phosphatase (DUSP-MKP) inhibitor. BCI-215 has cytotoxicity for tumor cells but not normal cells In Vitro BCI-215 concentration-dependently increases pERK levels in DUSP-overexpressing cells with IC 50 value in the micromolar range. BCI-215 (1-20 μM; 6 hours) retains fibroblast growth factor hyperactivating and cellular DUSP6/MKP-3 and DUSP1/MKP-1 inhibitory activity but is nontoxic to zebrafish embryos and an endothelial cell line. BCI-215 inhibits survival and motility of MDA-MB-231 human breast cancer cells but does not affect viability of cultured hepatocytes. BCI-215 is completely devoid of hepatocyte toxicity up to 100 µM. BCI-215 does not generate ROS in hepatocytes or in developing Zebrafish larvae.\nBCI-215 (22 µM) has antimigratory and proapoptotic activities in breast cancer cells that correlate with induction of ERK phosphorylation. BCI-215 (20 µM; 1 hour) induces mitogenic and stress signaling in cancer cells without generating ROS. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Apoptosis AnalysisCell Line: MDA-MB-231 cells Concentration: 22 µM Incubation Time: Result: Caused apoptotic cell death at concentrations that induce ERK phosphorylation. Western Blot AnalysisCell Line: MDA-MB-231 cells Concentration: 20 µM Incubation Time: 1 hour Result: Induced a stress response that is not dependent on oxidation. Form:Solid IC50& Target:DUSP-MKP

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Indanes
    - Subclass Indanones

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Indanes
Subclass	Indanones
Intermediate Tree Nodes	Not available
Direct Parent	Indanones
Alternative Parents	Aryl ketones Cyclohexylamines Aralkylamines Benzene and substituted derivatives Aryl bromides Dialkylamines Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Indanone - Aryl ketone - Cyclohexylamine - Aralkylamine - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ketone - Secondary amine - Secondary aliphatic amine - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as indanones. These are compounds containing an indane ring bearing a ketone group.
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

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	(2E)-2-benzylidene-5-bromo-3-(cyclohexylamino)-3H-inden-1-one
INCHI	InChI=1S/C22H22BrNO/c23-16-11-12-18-19(14-16)21(24-17-9-5-2-6-10-17)20(22(18)25)13-15-7-3-1-4-8-15/h1,3-4,7-8,11-14,17,21,24H,2,5-6,9-10H2/b20-13+
InChIKey	JGWQWVVSCQBAFC-DEDYPNTBSA-N
Smiles	C1CCC(CC1)NC2C3=C(C=CC(=C3)Br)C(=O)C2=CC4=CC=CC=C4
Isomeric SMILES	C1CCC(CC1)NC\2C3=C(C=CC(=C3)Br)C(=O)/C2=C/C4=CC=CC=C4
PubChem CID	46912328
Molecular Weight	396.3

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 (84.10 mM; Need ultrasonic)
Molecular Weight	396.300 g/mol
XLogP3	5.400
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	395.088 Da
Monoisotopic Mass	395.088 Da
Topological Polar Surface Area	29.100 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	504.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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