tesetaxel

Tesetaxel is an orally administered taxane being investigated as a chemotherapy agent for various types of cancer, including breast cancer, gastric cancer, colorectal cancer, and other solid tumors. It differs from other members of the taxane class (e.g. paclitaxel or docetaxel) in that it is administered orally, not intravenously.

In the Vinony graph

Vinony's link graph records 274 inbound references to tesetaxel, and connects out to tiazofurin, breast cancer and digital object identifier.

Vinony files it under Acetate esters, Benzoate esters and Carbamates.

Vinony links it to 5 Wikipedia language editions.

Chemical data

Formula: C46H60FN3O13
Molecular weight: 882 g/mol
IUPAC name: [(2R,4S,6S,7R,10R,13S,14R,15S,16S,18S)-13-acetyloxy-4-[(dimethylamino)methyl]-18-[(2R,3S)-3-(3-fluoro-2-pyridinyl)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]oxy-16-hydroxy-7,19,20,20-tetramethyl-3,5,11-trioxapentacyclo[14.3.1.02,6.07,14.010,13]icos-1(19)-en-15-yl] benzoate
SMILES: CC1=C2[C@@H]3[C@H]([C@@]4(CC[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)O[C@@H](O3)CN(C)C
InChIKey: MODVSQKJJIBWPZ-VLLPJHQWSA-N
XLogP: 3.3
Polar surface area: 202 Å²
H-bond donors: 3
H-bond acceptors: 16
Formal charge: 0

via PubChem

Drug data · ChEMBL

Max clinical phase: Phase 3
Molecule type: Small molecule
Indications: melanoma, neoplasm, breast neoplasm, gastric carcinoma

via ChEMBL · EBI

Wikidata facts

Subclass of: chemical compound
Mass: 881.411

Show 3 more facts

chemical formula: C₄₆H₆₀FN₃O₁₃
canonical SMILES: CC1=C2C3C(C4(CCC5C(C4C(C(C2(C)C)(CC1OC(=O)C(C(C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)OC(O3)CN(C)C
isomeric SMILES: CC1=C2[C@@H]3[C@H]([C@@]4(CC[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C6=C(C=CC=N6)F)NC(=O)OC(C)(C)C)O)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)C)O[C@@H](O3)CN(C)C

Sources (2)

via Wikidata · CC0

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Encyclopedic overview

1 sections

Contents

References

{{Drugbox | Verifiedfields = changed | Watchedfields = changed | verifiedrevid = 448210005 | IUPAC_name = (2aS,2bR,3S,4S,6S,8aR,10S,11aS,11bR,13aR)-2a-(acetyloxy)-6-{[(2R,3S)-3-[(tert-butoxycarbonyl)amino]-3-(3-fluoropyridin-2-yl)-2-hydroxypropanoyl]oxy}-10-[(dimethylamino)methyl]-4-hydroxy-7,11b,14,14-tetramethyl-2a,2b,3,4,5,6,8a,11a,11b,12,13,13a-dodecahydro-2H-4,8-methano[1,3]dioxolo[3,4]cyclodeca[1,2-d][1]benzoxet-3-yl benzoate | image = Tesetaxel.svg | image_class = skin-invert-image

Excerpted from Wikipedia’s “tesetaxel” article, available under the CC BY-SA 4.0 licence.