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CCI-006

CAT: 0931-T10706-05Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10706-05Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
292053-42-0
Target
Mitochondrial Metabolism
Related Pathways
Metabolism
Purity
0.9903
Bioactivity
CCI-006, a selective inhibitor and chemosensitizer for MLL-rearranged leukemia cells, disrupts mitochondrial respiration. This action leads to irreversible mitochondrial depolarization and triggers a pro-apoptotic unfolded protein response in specific MLL-r leukemia cells.
Smiles
COC(=O)C(=C\c1ccc(o1)-c1ccc(cc1)S(N)(=O)=O)\C#N
Molecular Formula
C15H12N2O5S
Molecular Weight
332.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl 2-cyano-3-(5-(4-sulfamoylphenyl)furan-2-yl)acrylate
CAS Number292053-42-0
PubChem CID710526
IUPAC Namemethyl (E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enoate
Molecular FormulaC15H12N2O5S
Molecular Weight332.3
XLogP1.9
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity620
SMILES
COC(=O)/C(=C/C1=CC=C(O1)C2=CC=C(C=C2)S(=O)(=O)N)/C#N
InChI
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+
InChIKey
VEXAKEBSBMAIOB-DHZHZOJOSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-cyano-3-(5-(4-sulfamoylphenyl)furan-2-yl)acrylate
CAS: 292053-42-0
CID: 710526
Formula: C15H12N2O5S
MW: 332.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.3
XLogP31.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass332.04669266
Monoisotopic Mass332.04669266
Topological Polar Surface Area132 Ų
Heavy Atom Count23
Formal Charge0
Complexity620
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5752876CCI-006
A18587-200CCI-006 200mg
A18587-50CCI-006 50mg
A18587-25CCI-006 25mg
A18587-10CCI-006 10mg
A18587-5CCI-006 5mg
A18587-100CCI-006 100mg
A18587-1CCI-006 1mg
A18587-10mM-DCCI-006 10mM * 1mL in DMSO
BA3317-25CCI-007

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