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Chemical structure of BAZ1A-IN-1

GC63694

BAZ1A-IN-1

Also known as 1-(3-nitrophenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea

BAZ1A-IN-1 is a potent inhibitor of BAZ1A (bromodomain-containing protein)· BAZ1A-IN-1 shows a KD value of 0·52 μM against BAZ1A bromodomain· BAZ1A-IN-1 shows good anti-viability activity against cancer cell lines expressing a high level of BAZ1A, but weak or no activity against cancer cells with a low expression level of BAZ1A

ChemicalCAS941521-45-5MW340.36FormulaC16H12N4O3S
CAS number
941521-45-5
Molecular weight
340.36
Formula
C16H12N4O3S
Solubility
DMSO ： 83·33 mg/mL (244·83 mM; Need ultrasonic)
InChIKey
UJRJAZDAWUSWRK-UHFFFAOYSA-N
Catalogue number
GC63694
Brand
GLPBIO
Computed properties PubChem CID 19257149 · XLogP 3.3 · TPSA 128 Ų · H-bond donors 2
XLogP
3.3
TPSA
128 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
24

SMILES C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Computed descriptors from PubChem (CID 19257149), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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