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Chemical structure of Batabulin

GC60620

Batabulin

Also known as 2,3,4,5,6-pentafluoro-N-(3-fluoro-4-methoxyphenyl)benzenesulfonamide

Batabulin (T138067) is an antitumor agent, which binds covalently and selectively to a subset of the β-tubulin isotypes, thereby disrupting microtubule polymerization· Batabulin affects cell morphology and leads to cell-cycle arrest ultimately induces apoptotic cell death

ChemicalCAS195533-53-0MW371.26FormulaC13H7F6NO3S
CAS number
195533-53-0
Molecular weight
371.26
Formula
C13H7F6NO3S
Solubility
DMSO： 100 mg/mL (269·35 mM)
InChIKey
ROZCIVXTLACYNY-UHFFFAOYSA-N
Catalogue number
GC60620
Brand
GLPBIO
Computed properties PubChem CID 216324 · XLogP 3 · TPSA 63.8 Ų · H-bond donors 1
XLogP
3
TPSA
63.8 Ų
H-bond donors
1
H-bond acceptors
10
Rotatable bonds
4
Heavy atoms
24

SMILES COC1=C(C=C(C=C1)NS(=O)(=O)C2=C(C(=C(C(=C2F)F)F)F)F)F

Computed descriptors from PubChem (CID 216324), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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