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CBR-5884

CAT: 0013-GTR19156786-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19156786-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CBR-5884 is an selective, active of phosphoglycerate dehydrogenase (PHGDH) inhibitor with an IC50 of 33 μM. CBR-5884 inhibits de novo serine synthesis in cancer cells and is selectively toxic to cancer cell lines with high serine biosynthetic activity. CBR-5884 selectively inhibits the proliferation of melanoma and breast cancer lines that have a high propensity for serine synthesis. Biochemical characterization of the inhibitor revealed that it was a noncompetitive inhibitor that showed a time-dependent onset of inhibition and disrupted the oligomerization state of PHGDHCBR-5884 (15 or 30 μM; 3-5 days) selectively inhibits breast cancer lines that have a high propensity for serine synthesis. CBR-5884 (15 or 30 μM; 3-5 days) also selectively inhibits the proliferation of melanoma.
CAS Number
681159-27-3
Field of Research
Metabolism Research
Purity
>98% (HPLC)
Solubility
DMSO:47 mg/mL (139.72 mM; Need ultrasonic) ; H2O:< 0.1 mg/mL (insoluble)
Smiles
CCOC (=O) c1sc (NC (=O) c2ccco2) c (SC#N) c1C
Molecular Formula
C14H12N2O4S2
Molecular Weight
336.39
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Cbr-5884

Ethyl 5-(furan-2-carboxamido)-3-methyl-4-thiocyanatothiophene-2-carboxylate is an organic molecular entity.

CAS Number681159-27-3
PubChem CID4674993
IUPAC Nameethyl 5-(furan-2-carbonylamino)-3-methyl-4-thiocyanatothiophene-2-carboxylate
Molecular FormulaC14H12N2O4S2
Molecular Weight336.4
XLogP3.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count22
Formal Charge0
Complexity479
SMILES
CCOC(=O)C1=C(C(=C(S1)NC(=O)C2=CC=CO2)SC#N)C
InChI
InChI=1S/C14H12N2O4S2/c1-3-19-14(18)11-8(2)10(21-7-15)13(22-11)16-12(17)9-5-4-6-20-9/h4-6H,3H2,1-2H3,(H,16,17)
InChIKey
QBVIRPJBDIZKBC-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cbr-5884
CAS: 681159-27-3
CID: 4674993
Formula: C14H12N2O4S2
MW: 336.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight336.4
XLogP33.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass336.02384922
Monoisotopic Mass336.02384922
Topological Polar Surface Area146 Ų
Heavy Atom Count22
Formal Charge0
Complexity479
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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