Products for Research Use Only

CCI-007

CAT: 0013-GTR19165828-02Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19165828-02Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CCI-007 is a selective small molecule inhibitor targeting MLL-rearranged, CALM-AF10, and SET-NUP214 fusion-driven leukemias, demonstrating an IC50 of 3.5 μM in the MLL-r cell line PER-485. It serves as a valuable research tool for investigating the pathogenesis and therapeutic targeting of these aggressive leukemias in both cellular and animal models.
CAS Number
939228-52-1
Product Name Alternative
SET-NUP214, CMYC, CALM-AF10, CCI 007, CCI007, CCI-007, Apoptosis, inhibit, MLL-r, Inhibitor, Histone Methyltransferase, HistoneMethyltransferase, HOXA9, MEIS1
Field of Research
Cell Biology, Epigenetics & Chromatin
Purity
97.61% (May vary between batches)
Solubility
10% DMSO+90% Saline:2 mg/mL (5.95 mM) ; DMSO:25 mg/mL (74.33 mM)
Smiles
CCOC (=O) COc1ccc (\C=C2\SC (N) =NC2=O) cc1OC
Molecular Formula
C15H16N2O5S
Molecular Weight
336.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Ethyl 2-(4-((2-amino-4-oxothiazol-5(4H)-ylidene)methyl)-2-methoxyphenoxy)acetate
CAS Number939228-52-1
PubChem CID154792594
IUPAC Nameethyl 2-[4-[(E)-(2-imino-4-oxo-1,3-thiazolidin-5-ylidene)methyl]-2-methoxyphenoxy]acetate
Molecular FormulaC15H16N2O5S
Molecular Weight336.4
XLogP2.5
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity508
SMILES
CCOC(=O)COC1=C(C=C(C=C1)/C=C/2\C(=O)NC(=N)S2)OC
InChI
InChI=1S/C15H16N2O5S/c1-3-21-13(18)8-22-10-5-4-9(6-11(10)20-2)7-12-14(19)17-15(16)23-12/h4-7H,3,8H2,1-2H3,(H2,16,17,19)/b12-7+
InChIKey
KGSKTLMBOLPOTC-KPKJPENVSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-(4-((2-amino-4-oxothiazol-5(4H)-ylidene)methyl)-2-methoxyphenoxy)acetate
CAS: 939228-52-1
CID: 154792594
Formula: C15H16N2O5S
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass336.07799279
Monoisotopic Mass336.07799279
Topological Polar Surface Area123 Ų
Heavy Atom Count23
Formal Charge0
Complexity508
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