Docetaxel Trihydrate - CAS 148408-66-6
Catalog number: 148408-66-6
Category: Inhibitor
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Molecular Formula:
C43H53NO14.3H2O
Molecular Weight:
861.93
COA:
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Targets:
Microtubule/Tubulin
Description:
Docetaxel is a cytotoxic agent, which is related to its ability to promote the formation of microtubule bundles and induce sustained mitotic arrest, followed by apoptosis of mitotically arrested cells or permanent mitotic block.
Purity:
>98%
Synonyms:
RP56976 (NSC 628503) Trihydrate; RP 56976 (NSC-628503) Trihydrate; RP-56976 (NSC628503) Trihydrate
MSDS:
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InChIKey:
XCDIRYDKECHIPE-QHEQPUDQSA-N
InChI:
InChI=1S/C43H53NO14.3H2O/c1-22-26(55-37(51)32(48)30(24-15-11-9-12-16-24)44-38(52)58-39(3,4)5)20-43(53)35(56-36(50)25-17-13-10-14-18-25)33-41(8,34(49)31(47)29(22)40(43,6)7)27(46)19-28-42(33,21-54-28)57-23(2)45;;;/h9-18,26-28,30-33,35,46-48,53H,19-21H2,1-8H3,(H,44,52);3*1H2/t26-,27-,28+,30-,31+,32+,33-,35-,41+,42-,43+;;;/m0.../s1
Canonical SMILES:
CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)O)C)O.O.O.O
1. Host–guest complexes of docetaxel, an anti-cancer drug
T. Lakshmi Kumar, Pooja Guleria, Peddy Vishweshwar, A. Sivalakshmidevi. J Incl Phenom Macrocycl Chem (2010) 66:261–269
Crystallization of docetaxel from n-butanol, DMF and ACN resulted in the formation of 1 •n-butanol, 1 • DMF and 1 • ACN inclusion complexes, respectively with 1:1 stoichiometry. In all the three crystal structures, docetaxel molecules formed a host framework and the solvent molecules are resided in the channels along [010]. The host docetaxel hydrogen bonded to the guest solvent molecules through hydroxyl moieties. Interestingly, 1 • n-butanol, 1 • DMF and a literature 1 • CH3OH • H2O host–guest complexes are isostructural with similar unit cell parameters, same P21 space group, and crystal packing. Further, the unit cell parameters and space group are similar to the form B of docetaxel trihydrate. 1 • ACN complex unit cell parameters and space group are similar to the marketed form A of docetaxel trihydrate. The bottom line is “docetaxel, an anti-cancer drug forms host–guest (inclusion) complexes.”
2. Nanostructured Cubosomes in a Thermoresponsive Depot System: An Alternative Approach for the Controlled Delivery of Docetaxel
Nilesh R. Rarokar, Suprit D. Saoji, Nishikant A. Raut. AAPS PharmSciTech, Vol. 17, No. 2, April 2016 (2015)
In the current study, the authors aimed to identify the feasibility of developing such a system for controlling the release of docetaxel. Docetaxel trihydrate (DTX) is an anti-neoplastic agent which acts by blocking the cellular mitotic and interphase functions. The anticancer activity of DTX is dependent on its concentration and duration of exposure. Although it is widely used in cancer chemotherapy, several problems associated with its clinical use remain unresolved. Due to its poor water-solubility, DXT is administered by a continuous intravenous delivery along with lipophilic solvents. This formulation has limited stability and is associated with significant vehicle-related toxicities.
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CAS 148408-66-6 Docetaxel Trihydrate

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