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Tefinostat (CHR-2845)

CAT: 1568-C01730-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C01730-100mgSize:100 mg
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CAS Number
914382-60-8
Target
HDAC
Applications
DNA Damage/DNA Repair
Molecular Formula
C28H37N3O5
Additionnal Information
Tefinostat (CHR-2845) is a monocyte/macrophage-targeted inhibitor of pan-histone deacetylase (HDAC) . Tefinostat undergoes cleavage mediated by the intracellular esterase human carboxylesterase-1 (hCE-1) to yield the active acid CHR-2847. In vitro studies reveal a specific heightened sensitivity of monocytoid leukemias to tefinostat.

Chemical Information

Tefinostat

Tefinostat is under investigation in clinical trial NCT02759601 (Dose Escalation Trial of Tefinostat for Cancer Associated Inflamation in Hepatocellular Carcinoma (HCC)).

CAS Number914382-60-8
PubChem CID15940949
IUPAC Namecyclopentyl (2S)-2-[[4-[[8-(hydroxyamino)-8-oxooctanoyl]amino]phenyl]methylamino]-2-phenylacetate
Molecular FormulaC28H37N3O5
Molecular Weight495.6
XLogP3.8
Topological Polar Surface Area117
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Heavy Atom Count36
Formal Charge0
Complexity668
SMILES
C1CCC(C1)OC(=O)[C@H](C2=CC=CC=C2)NCC3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO
InChI
InChI=1S/C28H37N3O5/c32-25(14-6-1-2-7-15-26(33)31-35)30-23-18-16-21(17-19-23)20-29-27(22-10-4-3-5-11-22)28(34)36-24-12-8-9-13-24/h3-5,10-11,16-19,24,27,29,35H,1-2,6-9,12-15,20H2,(H,30,32)(H,31,33)/t27-/m0/s1
InChIKey
GLNWREBYRLDPQP-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of Tefinostat
CAS: 914382-60-8
CID: 15940949
Formula: C28H37N3O5
MW: 495.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.6
XLogP33.8
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count15
Exact Mass495.27332129
Monoisotopic Mass495.27332129
Topological Polar Surface Area117 Ų
Heavy Atom Count36
Formal Charge0
Complexity668
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A20258-10Tefinostat 10mg
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