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Cabazitaxel

CAT: 0013-GTR19163426-06Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163426-06Size:5 mg
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Description
A semi-synthetic taxane and microtubule inhibitor for the treatment of hormone-refractory prostate cancer; possesses a favorable pharmacokinetic and safety profile, and a decreased propensity for P-glycoprotein (Pgp) -mediated drug resistance.Chemotherapeutic Agents Approved (In Vitro) :The cytotoxicity of cabazitaxel (100 μg/mL) on 4T1 cells without irradiation is 70.8%. Cabazitaxel (100 μg/mL) exhibits a concentration-dependent antiproliferation effect, with the antiproliferative activity of 56.2%. (In Vivo) :Cabazitaxel (10 mg/kg, i.v.) has certain toxicity to liver and kidney but it can be avoided by integrated into Ans. The body weights of mice treated with AN-ICG-CBX and AN-CBX have a slightly decrease, while body weights of the free CBX group significantly decrease compared to the control group.
CAS Number
183133-96-2
Product Name Alternative
XRP6258 | XRP 6258
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: 93 mg/mL (111.3 mM) ; Ethanol: <1 mg/mL; Water: <1 mg/mL (< 1 mg/ml refers to the product slightly soluble or insoluble)
Smiles
O=C (O[C@@H] ([C@@]1 ([H]) [C@@]2 (C) [C@@H] (OC) C[C@@]3 ([H]) OC[C@]31OC (C) =O) [C@]4 (O) C[C@H] (OC ([C@H] (O) [C@@H] (NC (OC (C) (C) C) =O) C5=CC=CC=C5) =O) C (C) =C (C4 (C) C) [C@@H] (OC) C2=O) C6=CC=CC=C6
Molecular Formula
C45H57NO14
Molecular Weight
835.932
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
Benzenepropanoic acid, b-[[ (1,1-dimethylethoxy) carbonyl]amino]-a-hydroxy-, 12b- (acetyloxy) -12- (benzoyloxy) -2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-y

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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