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Chemical structure of TPI-287

GC72975

TPI-287

Also known as [(1R,2S,5R,7S,11R,12S,15S,17S,18S,19S)-2,12-diacetyloxy-9-ethenyl-17-hydroxy-15-[(2R,3S)-2-hydroxy-5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]oxy-14,19,20,20-tetramethyl-4,8,10-trioxapentacyclo[9.7.1.113,17.02,5.07,19]icos-13-en-18-yl] benzoate

TPI-287, a blood-brain barrier-permeable microtubule stabilizer, can significantly reduce metastatic colonization of breast cancer in the brain

ChemicalCAS849213-15-6MW869.99FormulaC46H63NO15
CAS number
849213-15-6
Molecular weight
869.99
Formula
C46H63NO15
Solubility
DMSO ： ≥ 100 mg/mL (114·94 mM)
InChIKey
FDTAUJJRHBRHIJ-FDJAAIFISA-N
Catalogue number
GC72975
Brand
GLPBIO
Computed properties PubChem CID 11564168 · XLogP 4.6 · TPSA 212 Ų · H-bond donors 3
XLogP
4.6
TPSA
212 Ų
H-bond donors
3
H-bond acceptors
15
Rotatable bonds
17
Heavy atoms
62

SMILES CC1=C2[C@@H]([C@H]3[C@@]4([C@H](C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](CC(C)C)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO5)OC(=O)C)OC(O3)C=C)C)OC(=O)C

Computed descriptors from PubChem (CID 11564168), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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