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Cabazitaxel

CAT: 1568-C09043-03Size: 1 gDry Ice: YesHazardous: No
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CAT#:1568-C09043-03Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
183133-96-2
Synonyms
XRP6258, RPR-116258A, TXD 258, Taxoid XRP6258
SKU
C09043-5mg
Target
Microtubule Associated
Applications
Cytoskeletal Signaling
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) OC) C) OC
Molecular Formula
C45H57NO14
Additionnal Information
Cabazitaxel is a semi-synthetic derivative of a natural taxoid that kills cancer cells by inhibiting cell division and growth. Cabazitaxel exerts its effects by inhibiting microtubule growth and assembly, processes that are essential for cells to divide. Cabazitaxel induces autophagy via the PI3K/Akt/mTOR pathway.
Storage Conditions
2 years -80 in solvent

Chemical Information

Cabazitaxel

Cabazitaxel is a tetracyclic diterpenoid that is 10-deacetylbaccatin III having O-methyl groups attached at positions 7 and 10 as well as an O-(2R,3S)-3-[(tert-butoxycarbonyl)amino]-2-hydroxy-3-phenylpropanoyl group attached at position 13. Acts as a microtubule inhibitor, binds tubulin and promotes microtubule assembly and simultaneously inhibits disassembly. It has a role as an antineoplastic agent and a microtubule-stabilising agent. It is functionally related to a 10-deacetylbaccatin III.

CAS Number183133-96-2
PubChem CID9854073
IUPAC Name[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-1-hydroxy-15-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]oxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Molecular FormulaC45H57NO14
Molecular Weight835.9
XLogP2.7
Topological Polar Surface Area202
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count15
Heavy Atom Count60
Formal Charge0
Complexity1690
SMILES
CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC
InChI
InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1
InChIKey
BMQGVNUXMIRLCK-OAGWZNDDSA-N
Chemical Structure
2D Structure
2D structure of Cabazitaxel
CAS: 183133-96-2
CID: 9854073
Formula: C45H57NO14
MW: 835.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight835.9
XLogP32.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count15
Exact Mass835.37790549
Monoisotopic Mass835.37790549
Topological Polar Surface Area202 Ų
Heavy Atom Count60
Formal Charge0
Complexity1690
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
B2157-5Cabazitaxel

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