Simotaxel

Simotaxel (MST 997) is an orally active derivative of the taxane class. Simotaxel binds to β-tubulin and promotes tubulin polymerization (EC₅₀ = 0.9 μM), inhibits tubulin depolymerization, and causes cell cycle arrest at the G₂-M phase. Simotaxel disrupts the formation of the mitotic spindle and triggers the caspase-dependent apoptotic pathway (apoptosis). Simotaxel has inhibitory effects on Paclitaxel sensitive cell lines and overcomes drug resistance. Simotaxel can be used to study Paclitaxel / Docetaxel (HY-B0011) resistant solid tumors[1].

Product Specifications

CAS Number

791635-59-1

Product Name Alternative

MST 997

UNSPSC

12352005

Target

Apoptosis; Caspase; Microtubule/Tubulin

Related Pathways

Apoptosis; Cell Cycle/DNA Damage; Cytoskeleton

Field of Research

Cancer

Smiles

O[C@H]1C[C@]2([H])[C@](CO2)(OC(C)=O)[C@]3([H])[C@@]1(C([C@H](OC(C4CCCC4)=O)C5=C(C)[C@@H](OC([C@H](O)[C@@H](NC(OC(C)C)=O)C6=CC=CS6)=O)C[C@]([C@H]3OC(C7=CC=CC=C7)=O)(O)C5(C)C)=O)C

Molecular Formula

C46H57NO15S

Molecular Weight

896.01

References & Citations

[1]Kudalkar GP, et al. Is a Malleable Active Site Loop the Key to High Substrate Promiscuity? Hybrid, Biocatalytic Route to Structurally Diverse Taxoid Side Chains with Remarkable Dual Stereocontrol. Angew Chem Int Ed Engl. 2025 Sep 1;64 (36) :e202510889.