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Chemical structure of DTHIB

GC62120

DTHIB

Also known as 1-(4-chloro-3-nitrophenyl)-3-(4-fluorophenyl)urea

DTHIB is a direct and selective heat shock factor 1 (HSF1) inhibitor with a Kd of 160 nM for DTHIB binding to the HSF1 DNA binding domain (DBD)· DTHIB inhibits HSF1 cancer gene signature (HSF1 CaSig) and selectively stimulates degradation of nuclear HSF1· DTHIB has potently anticancer activities and can be used for prostate cancer research

ChemicalCAS897326-30-6MW309.68FormulaC13H9ClFN3O3
CAS number
897326-30-6
Molecular weight
309.68
Formula
C13H9ClFN3O3
Solubility
DMSO ： 100 mg/mL (322·91 mM; Need ultrasonic)
InChIKey
DWVIOMKFHSRQQM-UHFFFAOYSA-N
Catalogue number
GC62120
Brand
GLPBIO
Computed properties PubChem CID 108866909 · XLogP 2.9 · TPSA 87 Ų · H-bond donors 2
XLogP
2.9
TPSA
87 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21

SMILES C1=CC(=CC=C1NC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])F

Computed descriptors from PubChem (CID 108866909), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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