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About This Item
Empirical Formula (Hill Notation):
C27H40N4O5·2HCl
CAS Number:
Molecular Weight:
573.55
NACRES:
NA.21
UNSPSC Code:
12352203
Assay:
≥98% (HPLC)
Form:
powder
Storage condition:
desiccated
Quality Segment
assay
≥98% (HPLC)
form
powder
storage condition
desiccated
color
white to beige
solubility
H2O: 2 mg/mL, clear
storage temp.
-10 to -25°C
SMILES string
O=C(C1=CC(CNCC(N(CCN(C)C)CC)=O)=NC=C1)OC2=CC=C(C=C2OC(C)C)OC(C)C.Cl.Cl
General description
JQKD82 dihydrochloride is histone H3K4 demethylase inhibitor is a produg of KDM5-C49 phenol ester prodrug that selectively upregulates H3K4me3 and inhibits KDM5-dependent cancer growth.
(KDOAM-21; KDM5A/B/C/D Ki = 2/1/6.1/3.4 nM vs. KDM4C/6B/3A/2A Ki =0.51/4.55/2.59/4.4 μM; KDM5A/B/C/D IC50 = 1.1/0.8/3.2/2.7 μM by FDH assay with[αKG] = 1 mM & [E]/[S] = 0.5/15 μM; KDM5A/B/C IC50 = 25/30/59 nM by alphaLISA with [αKG] = 25 μM & [E]/[S] = 10/100 nM). JQKD82 selectively upregulates cellular histone H3K4me3 with a higher efficacy than KDM5-C49 orKDM5-C70 (3 μM for 24 h; MM.1S cells), and inhibits myeloma growth in cultures (MM.1S IC50 = 0.42 μM vs IC50 3.1 μM/KDM5-C70, >10 μM/KDM5-C49) and in vivo (50 mg/kg b.i.d. i.p. to mice with MOLP-8 xenograft).
(KDOAM-21; KDM5A/B/C/D Ki = 2/1/6.1/3.4 nM vs. KDM4C/6B/3A/2A Ki =0.51/4.55/2.59/4.4 μM; KDM5A/B/C/D IC50 = 1.1/0.8/3.2/2.7 μM by FDH assay with[αKG] = 1 mM & [E]/[S] = 0.5/15 μM; KDM5A/B/C IC50 = 25/30/59 nM by alphaLISA with [αKG] = 25 μM & [E]/[S] = 10/100 nM). JQKD82 selectively upregulates cellular histone H3K4me3 with a higher efficacy than KDM5-C49 orKDM5-C70 (3 μM for 24 h; MM.1S cells), and inhibits myeloma growth in cultures (MM.1S IC50 = 0.42 μM vs IC50 3.1 μM/KDM5-C70, >10 μM/KDM5-C49) and in vivo (50 mg/kg b.i.d. i.p. to mice with MOLP-8 xenograft).
Application
JQKD82 dihydrochloride may be used:
- to study its effects on lysine demethylase 5A (KDM5A) function in multiple myeloma research
- as a potential agent in HIV-1 research, where it was evaluated for its ability to reactivate latent HIV-1 inT cells
- to study its effects on cell cycle arrest and apoptosis induction
Biochem/physiol Actions
A selective and cell-permeable lysine demethylase 5(KDM5) inhibitor.
Disclaimer
Hygroscopic
Signal Word
Warning
Hazard Codes
Precautionary Statements
Hazard Classifications
Acute Tox. 4 Oral
Storage Class
11 - Combustible Solids
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
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