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Telaglenastat hydrochloride

CAT: 0013-GTR19189544Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19189544Size:5 mg
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Description
Telaglenastat hydrochloride
CAS Number
1874231-60-3
Field of Research
Cell Biology, Protein Biochemistry
Smiles
Cl.FC (F) (F) Oc1cccc (CC (=O) Nc2ccc (CCCCc3nnc (NC (=O) Cc4ccccn4) s3) nn2) c1
Molecular Formula
C26H25ClF3N7O3S
Molecular Weight
608.04
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Telaglenastat Hydrochloride

Telaglenastat Hydrochloride is the hydrochloride salt form of CB-839, an orally bioavailable inhibitor of glutaminase, with potential antineoplastic and immunostimulating activities. Upon oral administration, CB-839 selectively and reversibly binds to and inhibits human glutaminase, an enzyme that is essential for the conversion of the amino acid glutamine into glutamate. Blocking glutamine metabolism inhibits proliferation in rapidly growing tumor cells and leads to an induction of cell death. Unlike normal healthy cells, glutamine-dependent tumors heavily rely on the intracellular conversion of exogenous glutamine into glutamate and glutamate metabolites to both provide energy and generate building blocks for the production of macromolecules, which are needed for cellular growth and survival. In addition, CB-839 causes accumulation of glutamine in tumor cells and increases glutamine concentration in the tumor microenvironment (TME) upon cell death. As glutamine is essential for T-cell generation, CB-839 may also enhance T-cell proliferation and activation in the TME, which may lead to further killing of tumor cells.

CAS Number1874231-60-3
PubChem CID118867525
IUPAC NameN-[6-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]pyridazin-3-yl]-2-[3-(trifluoromethoxy)phenyl]acetamide;hydrochloride
Molecular FormulaC26H25ClF3N7O3S
Molecular Weight608.0
Topological Polar Surface Area160
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Heavy Atom Count41
Formal Charge0
Complexity812
SMILES
C1=CC=NC(=C1)CC(=O)NC2=NN=C(S2)CCCCC3=NN=C(C=C3)NC(=O)CC4=CC(=CC=C4)OC(F)(F)F.Cl
InChI
InChI=1S/C26H24F3N7O3S.ClH/c27-26(28,29)39-20-9-5-6-17(14-20)15-22(37)31-21-12-11-18(33-34-21)7-1-2-10-24-35-36-25(40-24)32-23(38)16-19-8-3-4-13-30-19;/h3-6,8-9,11-14H,1-2,7,10,15-16H2,(H,31,34,37)(H,32,36,38);1H
InChIKey
NMVMURBPQFKTAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Telaglenastat Hydrochloride
CAS: 1874231-60-3
CID: 118867525
Formula: C26H25ClF3N7O3S
MW: 608.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight608.0
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count12
Rotatable Bond Count12
Exact Mass607.1380210
Monoisotopic Mass607.1380210
Topological Polar Surface Area160 Ų
Heavy Atom Count41
Formal Charge0
Complexity812
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T39309Telaglenastat hydrochloride
HY-12248ATelaglenastat (hydrochloride)
BUP11908-01Telaglenastat
HY-12248R-01Telaglenastat (Standard)
S7655-10mM/1mLTelaglenastat (CB-839)
A14396-50Telaglenastat (CB-839) 50mg
A14396-1000Telaglenastat (CB-839) 1g
A14396-500Telaglenastat (CB-839) 500mg
A14396-100Telaglenastat (CB-839) 100mg
A14396-2Telaglenastat (CB-839) 2mg

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