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Chemical structure of CCT245232

GC64642

CCT245232

Also known as N-[5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)-2-methylphenyl]-2-methylquinoline-6-carboxamide

CCT245232 is a potent inhibitor of heat shock factor 1 (HSF1)· HSF1 is the master regulator of the heat shock response, in which multiple genes are induced in response to temperature increase and other stresses· CCT245232 has the potential for the research of proliferative diseases, such as cancer (extracted from patent WO2015049535A1)

ChemicalCAS1693731-14-4MW453.49FormulaC27H23N3O4
CAS number
1693731-14-4
Molecular weight
453.49
Formula
C27H23N3O4
Solubility
DMSO ： 41·67 mg/mL (91·89 mM; ultrasonic and warming and heat to 60°C)
InChIKey
RZQWMJAOUJLEAM-UHFFFAOYSA-N
Catalogue number
GC64642
Brand
GLPBIO
Computed properties PubChem CID 117996541 · XLogP 4.3 · TPSA 89.6 Ų · H-bond donors 2
XLogP
4.3
TPSA
89.6 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
34

SMILES CC1=C(C=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCCO3)NC(=O)C4=CC5=C(C=C4)N=C(C=C5)C

Computed descriptors from PubChem (CID 117996541), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

Ordering in Israel

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