| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H25N3O5S2 |
| Molecular Weight | 451.56 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)CCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=N2)C(=O)CSC(C)=O
InChI
InChIKey=KXWBUKMWZKTHCV-UHFFFAOYSA-N
InChI=1S/C20H25N3O5S2/c1-15(24)29-14-19(25)16-5-10-20(21-13-16)22-30(26,27)18-8-6-17(7-9-18)28-12-4-11-23(2)3/h5-10,13H,4,11-12,14H2,1-3H3,(H,21,22)
| Molecular Formula | C20H25N3O5S2 |
| Molecular Weight | 451.56 |
| Charge | 0 |
| Count |
MOL RATIO
1 MOL RATIO (average) |
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
KD5170 is a histone deacetylase (HDAC) inhibitor has potent antimyeloma activity in vitro and in vivo, which is mediated by DNA damage and mitochondrial signaling and subsequent induction of apoptosis. Among class I enzymes, KD5170 most potently inhibited HDAC1 and HDAC3. KD5170 was a significantly less potent inhibitor of HDAC2, which is surprising because these two isoforms have the highest degree of amino acid homology (93%) among the class I enzymes. KD5170 also potently inhibited HDAC4 and HDAC6.
Approval Year
PubMed
Patents
Sample Use Guides
in HCT-116 tumor–bearing nude mice: 10, 30, or 100 mg/kg
Route of Administration:
Oral
KD5170 is a potent HDAC inhibitor in vitro, with an IC50 of 0.045 ± 0.007 μmol/L in the HeLa cell nuclear extract screening assay. To define the isoform selectivity of KD5170, biochemical assays with individual recombinant human enzymes were done. Among class I enzymes, KD5170 most potently inhibited HDAC1 [IC50, 0.020 ± 0.004 μmol/L (SE); n = 5] and HDAC3 [IC50, 0.075 ± 0.01 μmol/L (SE); n = 5]. KD5170 was a significantly less potent inhibitor of HDAC2 [IC50, 2.0 ± 0.12 μmol/L (SE); n = 5], which is surprising because these two isoforms have the highest degree of amino acid homology (93%) among the class I enzymes. KD5170 also potently inhibited HDAC4 and HDAC6, with IC50 values of 0.026 μmol/L (SE, ±0.003 μmol/L; n = 5) and 0.014 μmol/L (SE, ±0.002 μmol/L; n = 5), respectively.
