CCI-006

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

MedKoo CAT#: 565617

CAS#: 69563-88-8

Description: CCI-006 is a novel inhibitor of mll-rearranged and calm-af10 translocated leukemias, inhibiting mitochondrial respiration and inducing mitochondrial membrane depolarization and apoptosis in a subset (7/11, 64%) of mll-rearranged leukemia cell lines within a few hours of treatment

Chemical Structure

img
CCI-006
CAS# 69563-88-8
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 565617
Name: CCI-006
CAS#: 69563-88-8
Chemical Formula: C15H12N2O5S
Exact Mass: 332.05
Molecular Weight: 332.330
Elemental Analysis: C, 54.21; H, 3.64; N, 8.43; O, 24.07; S, 9.65

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

Synonym: CCI-006; CCI 006; CCI006

IUPAC/Chemical Name: Methyl (E)-2-cyano-3-(5-(4-sulfamoylphenyl)furan-2-yl)acrylate

InChi Key: VEXAKEBSBMAIOB-DHZHZOJOSA-N

InChi Code: InChI=1S/C15H12N2O5S/c1-21-15(18)11(9-16)8-12-4-7-14(22-12)10-2-5-13(6-3-10)23(17,19)20/h2-8H,1H3,(H2,17,19,20)/b11-8+

SMILES Code: O=C(OC)/C(C#N)=C/C1=CC=C(C2=CC=C(S(=O)(N)=O)C=C2)O1

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:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: CCI-006 is a selective inhibitor and chemosensitizer of MLL-rearranged leukemia cells, by inhibits mitochondrial respiration resulting in insurmountable mitochondrial depolarization and a pro-apoptotic unfolded protein response (UPR) in a subset of MLL-r leukemia cells.
In vitro activity: A screening method optimized to discover cytotoxic compounds selective for MLL-rearranged leukemia identified CCI-006 as a novel inhibitor of MLL-rearranged and CALM-AF10 translocated leukemias that share common leukemogenic pathways. CCI-006 inhibited mitochondrial respiration and induced mitochondrial membrane depolarization and apoptosis in a subset (7/11, 64%) of MLL-rearranged leukemia cell lines within a few hours of treatment. The unresponsive MLL-rearranged leukemia cells did not undergo mitochondrial membrane depolarization or apoptosis despite a similar attenuation of mitochondrial respiration by the compound. In comparison to the sensitive cells, the unresponsive MLL-rearranged leukemia cells were characterized by a more glycolytic metabolic phenotype, exemplified by a more pronounced sensitivity to glycolysis inhibitors and elevated HIF1α expression. Silencing of HIF1α expression sensitized an intrinsically unresponsive MLL-rearranged leukemia cell to CCI-006, indicating that this pathway plays a role in determining sensitivity to the compound. In addition, unresponsive MLL-rearranged leukemia cells expressed increased levels of MEIS1, an important leukemogenic MLL target gene that plays a role in regulating metabolic phenotype through HIF1α. Reference: Oncogene. 2019 May;38(20):3824-3842. https://www.ncbi.nlm.nih.gov/pmc/articles/pmid/30670779/
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 83.3 250.74

Preparing Stock Solutions

The following data is based on the product molecular weight 332.33 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.

Recalculate based on batch purity %
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:
In vitro protocol: 1. Somers K, Wen VW, Middlemiss SMC, Osborne B, Forgham H, Jung M, Karsa M, Clifton M, Bongers A, Gao J, Mayoh C, Raoufi-Rad N, Kusnadi EP, Hannan KM, Scott DA, Kwek A, Liu B, Flemming C, Chudakova DA, Pandher R, Failes TW, Lim J, Angeli A, Osterman AL, Imamura T, Kees UR, Supuran CT, Pearson RB, Hannan RD, Davis TP, McCarroll J, Kavallaris M, Turner N, Gudkov AV, Haber M, Norris MD, Henderson MJ. A novel small molecule that kills a subset of MLL-rearranged leukemia cells by inducing mitochondrial dysfunction. Oncogene. 2019 May;38(20):3824-3842. doi: 10.1038/s41388-018-0666-5. Epub 2019 Jan 22. PMID: 30670779; PMCID: PMC6756102.
In vivo protocol:

Molarity Calculator

Calculate the mass, volume, or concentration required for a solution.
=
x
x
g/mol

*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

Reconstitution Calculator

The reconstitution calculator allows you to quickly calculate the volume of a reagent to reconstitute your vial. Simply enter the mass of reagent and the target concentration and the calculator will determine the rest.

=
÷

Dilution Calculator

Calculate the dilution required to prepare a stock solution.
x
=
x

1: Somers K, Wen VW, Middlemiss SMC, Osborne B, Forgham H, Jung M, Karsa M, Clifton M, Bongers A, Gao J, Mayoh C, Raoufi-Rad N, Kusnadi EP, Hannan KM, Scott DA, Kwek A, Liu B, Flemming C, Chudakova DA, Pandher R, Failes TW, Lim J, Angeli A, Osterman AL, Imamura T, Kees UR, Supuran CT, Pearson RB, Hannan RD, Davis TP, McCarroll J, Kavallaris M, Turner N, Gudkov AV, Haber M, Norris MD, Henderson MJ. A novel small molecule that kills a subset of MLL-rearranged leukemia cells by inducing mitochondrial dysfunction. Oncogene. 2019 May;38(20):3824-3842. doi: 10.1038/s41388-018-0666-5. Epub 2019 Jan 22. PubMed PMID: 30670779.