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Chemical structure of Cevipabulin fumarate

GC35659

Cevipabulin fumarate

Also known as (E)-but-2-enedioic acid;5-chloro-6-[2,6-difluoro-4-[3-(methylamino)propoxy]phenyl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Cevipabulin fumarate (TTI-237 fumarate) is an oral, microtubule-active, antitumor compound and inhibits the binding of [3H]NSC 49842 to tubulin, with an IC50 of 18-40 nM for cytotoxicity in human tumor cell line

ChemicalCAS849550-67-0MW580.89FormulaC22H22ClF5N6O5
CAS number
849550-67-0
Molecular weight
580.89
Formula
C22H22ClF5N6O5
Solubility
DMSO： 50 mg/mL (86·07 mM)
InChIKey
TUXZQBYIZLWUKK-AFIAKLHKSA-N
Catalogue number
GC35659
Brand
GLPBIO
Computed properties PubChem CID 71587814 · TPSA 151 Ų · H-bond donors 4 · H-bond acceptors 15
TPSA
151 Ų
H-bond donors
4
H-bond acceptors
15
Rotatable bonds
10
Heavy atoms
39

SMILES C[C@@H](C(F)(F)F)NC1=C(C(=NC2=NC=NN12)Cl)C3=C(C=C(C=C3F)OCCCNC)F.C(=C/C(=O)O)\C(=O)O

Computed descriptors from PubChem (CID 71587814), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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