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ChemicalBook--->CAS DataBase List--->1693731-40-6

1693731-40-6

1693731-40-6 Structure

1693731-40-6 Structure
IdentificationBack Directory
[Name]

N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)-2-(2-(pyrrolidin-1-yl)ethoxy)quinoline-6-carboxamide
[CAS]

1693731-40-6
[Synonyms]

CS-2478
CCT251236
CCT251236;CCT-251236;CCT 251236
N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-2-(2-pyrrolidin-1-ylethoxy)quinoline-6-carboxamide
N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)-2-(2-(pyrrolidin-1-yl)ethoxy)quinoline-6-carboxamide
6-Quinolinecarboxamide, N-[5-[[(2,3-dihydro-1,4-benzodioxin-6-yl)carbonyl]amino]-2-methylphenyl]-2-[2-(1-pyrrolidinyl)ethoxy]-
[Molecular Formula]

C32H32N4O5
[MDL Number]

MFCD30738050
[MOL File]

1693731-40-6.mol
[Molecular Weight]

552.62
Chemical PropertiesBack Directory
[Boiling point ]

628.7±55.0 °C(Predicted)
[density ]

1.328±0.06 g/cm3(Predicted)
[storage temp. ]

-20°C
[solubility ]

Soluble in DMSO (5 mg/ml)
[form ]

solid
[pka]

12.18±0.70(Predicted)
[color ]

Off-white/beige
[Stability:]

Stable for 1 year as supplied. Solutions in DMSO may be stored at -20°C for up to 3 months.
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H317
[Precautionary statements ]

P280
Hazard InformationBack Directory
[Description]

CCT251236 (1693731-40-6) is an inhibitor of the Heat Shock Transcription Factor 1 (HSF1) stress pathway (IC50 = 19 nM Inhibition HSF-1 mediated HSP72 induction, IC50 = 40 nM HSPA1A induction).1 It displayed efficacy in a human ovarian carcinoma xenograft mouse model (SK-OV 3 cells) and inhibited migration of WM266.4 melanoma cells @ 100 nM. CCT251236 showed high affinity for the protein pirin (Ki = 28 nM), but this target was not shown conclusively to be the cause of the anticancer activity. It also showed efficacy in vitro against primary patient-derived myeloma cells and H929 human myeloma xenograft models.2
[References]

Cheeseman et al. (2017), Discovery of a Chemical Probe Bisamide (CCT251236): An Orally Bioavailable Efficacious Pirin Ligand from a Heat Shock Transcription Factor 1 (HSF1) Phenotypic Screen; J. Med. Chem., 60 180 Fok et al. (2018), HSF-1: Essential for Myeloma Cell Survival and A Promising Therapeutic Target; Cancer Res., 124 2395
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