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CCI-006

CAT: 0013-GTR19156973-02Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156973-02Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CCI-006 is a selective inhibitor and chemosensitizer of MLL-rearranged leukemia cells. It inhibits mitochondrial respiration resulting in insurmountable mitochondrial depolarization and a pro-apoptotic unfolded protein response in a subset of MLL-r leukemia cells.
CAS Number
292053-42-0
Purity
>98% (HPLC)
Solubility
DMSO:83.33 mg/mL (250.74 mM)
Smiles
COC (=O) C (\C#N) =C\c1ccc (o1) -c1ccc (cc1) S (N) (=O) =O
Molecular Formula
C15H12N2O5S
Molecular Weight
332.33
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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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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
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