CAY10603
Modify Date: 2024-01-04 11:19:22
CAY10603 structure
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Common Name | CAY10603 | ||
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| CAS Number | 1045792-66-2 | Molecular Weight | 446.497 | |
| Density | 1.2±0.1 g/cm3 | Boiling Point | N/A | |
| Molecular Formula | C22H30N4O6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
Use of CAY10603CAY10603 is a potent and selective HDAC6 inhibitor, with an IC50 of 2 pM; CAY10603 also inhibits HDAC1, HDAC2, HDAC3, HDAC8, HDAC10, with IC50s of 271, 252, 0.42, 6851, 90.7 nM. |
| Name | tert-butyl N-[4-[3-[[7-(hydroxyamino)-7-oxoheptyl]carbamoyl]-1,2-oxazol-5-yl]phenyl]carbamate |
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| Synonym | More Synonyms |
| Description | CAY10603 is a potent and selective HDAC6 inhibitor, with an IC50 of 2 pM; CAY10603 also inhibits HDAC1, HDAC2, HDAC3, HDAC8, HDAC10, with IC50s of 271, 252, 0.42, 6851, 90.7 nM. |
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| Related Catalog | |
| Target |
HDAC6:0.002 nM (IC50) HDAC3:0.42 nM (IC50) HDAC10:90.7 nM (IC50) HDAC2:252 nM (IC50) HDAC1:271 nM (IC50) HDAC8:6851 nM (IC50) |
| In Vitro | CAY10603 (Compound 7) shows potent inhibitory activities against pancreatic cancer cell lines, with IC50s of 1, 0.3, 0.1, 0.1, 0.6, <1, 0.5 μM for BxPC-3, HupT3, Mia Paca-2, Panc 04.03, SU.86.86, HMEC, HPDE6c7, respectively. CAY10603 (100 nM, 200-300 nM) is active against both the Mia Paca-2 and Panc04.03 cell lines[1]. CAY10603 inhibits HDAC6 deacetylase activity, and supresses the proliferation of lung adenocarcinoma cells. CAY10603 also induces apoptosis of lung adenocarcinoma cells. Furthermore, CAY10603 synergizes with gefitinib to induce apoptosis in lung adenocarcinoma cell lines, partly through the destabilization of EGFR and inactivation of the EGFR pathway[2]. |
| Kinase Assay | Purified HDACs are incubated with 1 mm carboxyfluorescein (FAM)-labeled acetylated peptide substrate and test compound for 17 h at 25°C in HDAC assay buffer containing 100 mm HEPES (pH 7.5), 25 mm KCl, 0.1% BSA, and 0.01% Triton X-100. Reactions are terminated by the addition of buffer containing 0.078% SDS for a final SDS concentration of 0.05%. Substrate and product are separated electrophoretically using a Caliper LabChip 3000 system with blue laser excitation and green fluorescence detection (CCD2). The fluorescence intensity in the substrate and product peaks is determined using the Well Analyzer software on the Caliper system. The reactions are performed in duplicate for each sample. IC50 values are automatically calculated using the IDBS XLFit version 4.2.1 plug-in for Microsoft Excel and the XLFit 4-Parameter Logistic Model (sigmoidal dose-response model): ((A+ ((B_A)/1+((C/x)D)))), in which x is compound concentration, A and B are respectively the estimated minimum and maximum of percent inhibition, C is the inflection point, and D is the Hill slope of the sigmoidal curve. |
| Cell Assay | The pancreatic cancer cell lines BxPc-3, HupT3, Mia Paca-2, Panc 04.03, and SU 86.86 are obtained from ATCC and are grown in medium (DMEM or RPMI) containing 10% fetal calf serum and l-glutamine. Pancreatic cancer cells are plated out in duplicate into 6 wells of a 96-well microtiter plate at 2.5-4P103 cells per well. Four hours post plating, individual wells are treated with diluent (DMSO) or varying concentrations of SAHA or the indicated HDACIs from a concentration of 1 nm to 50 mm. Cytotoxicity is measured at time “0”, and 72 h post treatment using the colorimetric MTT assay. The IC50 values are calculated using XLfit. |
| References |
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Molecular Formula | C22H30N4O6 |
| Molecular Weight | 446.497 |
| Exact Mass | 446.216522 |
| PSA | 142.79000 |
| LogP | 1.94 |
| Index of Refraction | 1.563 |
| Storage condition | -20℃ |
|
~30%
CAY10603 CAS#:1045792-66-2 |
| Literature: Kozikowski, Alan P.; Tapadar, Subhasish; Luchini, Doris N.; Ki, Hwan Kim; Billadeau, Daniel D. Journal of Medicinal Chemistry, 2008 , vol. 51, # 15 p. 4370 - 4373 |
![7-{[5-(4-tert-butoxycarbonylaminophenyl)isoxazole-3-carbonyl]amino}heptanoic acid methyl ester structure](https://www.chemsrc.com/caspic/202/1045792-87-7.png)
| Precursor 1 | |
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| DownStream 0 | |
| bml-281 |
| Carbamic acid, N-[4-[3-[[[7-(hydroxyamino)-7-oxoheptyl]amino]carbonyl]-5-isoxazolyl]phenyl]-, 1,1-dimethylethyl ester |
| 2-Methyl-2-propanyl [4-(3-{[7-(hydroxyamino)-7-oxoheptyl]carbamoyl}-1,2-oxazol-5-yl)phenyl]carbamate |
| CAY10603 |
| N-[4-[3-[[[7-(Hydroxyamino)-7-oxoheptyl]amino]carbonyl]-5-isoxazolyl]phenyl]carbamic acid 1,1-dimethylethyl ester |