ChemicalBook--->CAS DataBase List--->183133-94-0

183133-94-0

183133-94-0 Structure

183133-94-0 Structure
IdentificationBack Directory
[Name]

(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one
[CAS]

183133-94-0
[Synonyms]

11S
12a
12S
(2aR
4]benz[1
6-dimethoxy-4a
11-dihydroxy-4
7,10-MeO-10-DAB
13-tetramethyl-7
Cabazitaxel IMP
12b-dodecahydro-9
Cabazitaxel Impurity
Cabazitaxel lmpurities
7,10-dimethoxy -10-DAB
10-Dimethoxy-10-DAB III
Cabazitaxel Impurity 17
7,1-DiMethoxy-1-DAB III
7β,10β-Dimethoxy-10-dabⅢ
Cabazitaxel intermediate
7,10-Dimethoxy-10-DAB III
11-methano-5H-cyclodeca[3
2-b]oxet-5-oneChemicalBook
7β,10β-diMethoxy-10-DAB-II
Cabazitaxel interMediate 1
4,6-Dimethoxy Baccatin III
7β,10β-dimethoxy-10-DAB-III
7,10-dimethoxy-Baccatin III
Cabazitaxel Deacyl Impurity
(2aR,4S,4aS,6R,9S,11S,12S,12
4-Deacetyl-4-propionyl Cabazitaxel
Cabazitaxel Initiator 1 impurity A
183133-94-0 7, 10-Dimethoxy-10-DAB III
10-Deacetyl-7,10-dimethoxy-Baccatin III
12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1
7β,10β-diMethoxy-10-deacetylbaccatin III
7β,10β-diMethoxy-10-deacetylbaccatin III
(2α,3ξ,5β,7β,10β,13α)-4-Acetoxy-1,13-dihydroxy-7,10-di...
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12
2α,3ξ,5β,7β,10β,13α)-4-Acetoxy-1,13-dihydroxy-7,10-diMethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-diMethoxy-4a,8,13,13-tetraMethyl-7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxe
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9,11-dihydroxy-4,6-diMethoxy-4a,8,13,13-tetraMethyl-5-oxo-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-Methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl benzoate
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one
7,11-Methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one, 12b-(acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-
(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-oneChemicalBook
7,10-Dimethoxy-10-DAB III (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(Acetyloxy)-12-(benzoyloxy)-1,2a,3,4,4a,6,9,10,11,12,12a,12b-dodecahydro-9,11-dihydroxy-4,6-dimethoxy-4a,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benz[1,2-b]oxet-5-one
[EINECS(EC#)]

1592732-453-0
[Molecular Formula]

C31H40O10
[MDL Number]

MFCD23100710
[MOL File]

183133-94-0.mol
[Molecular Weight]

572.643
Chemical PropertiesBack Directory
[Melting point ]

>225°C (dec.)
[Boiling point ]

675.8±55.0 °C(Predicted)
[density ]

1.31
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMF (Slightly, Heated, Sonicated), DMSO (Very Slightly, Heated), Methanol
[form ]

Solid
[pka]

12.82±0.70(Predicted)
[color ]

White to Off-White
[Stability:]

Hygroscopic
[InChIKey]

MGJMLMORVVDLIU-VHLOTGQHSA-N
[SMILES]

O1C[C@@]2(OC(C)=O)[C@@]3([H])[C@H](OC(=O)C4=CC=CC=C4)[C@@]4(O)C(C)(C)C(=C(C)[C@@H](O)C4)[C@@H](OC)C(=O)[C@]3(C)[C@@H](OC)C[C@@]12[H]
Safety DataBack Directory
[HS Code ]

29329990
Hazard InformationBack Directory
[Description]

Cabazitaxel is a kind of Second line Drug for the treatment of prostate cancer, FDA Priority Review status approval listing is obtained because its curative effect is remarkable, for the advanced prostate cancer patients to the invalid even aggravation of Docetaxel, the first-selected medicine being used for the treatment of late period, hormone antagonist type prostate cancer.7,10-dimethoxy-10-Dab III is the important intermediate preparing Cabazitaxel.
[Uses]

4-Deacetyl-4-propionyl Cabazitaxel is an impurity of Cabazitaxel (C046500).A novel semi-synthetic taxane with antitumor activity used for the treatment of castration-resistant prostate cancer. A microtubule inhibitor.
[Synthesis]

Solvent is methylene dichloride, and alkali is the two dimethylamino naphthalene of 1,8-, and the mol ratio of 10-deacetylate Bakating III and trimethylammonium oxygen Tetrafluoroboric acid is 1:35; The mol ratio of 10-deacetylate Bakating III and alkali is 1:45;By 10-Dab (10g, 18.4mmol) be dissolved in methylene dichloride (200ml), add 1, the two dimethylamino naphthalene (177.2g of 8-, 828mmol), stirring at room temperature half an hour, add trimethylammonium oxygen Tetrafluoroboric acid (95.2g, 643.4mmol) again, stirring at room temperature 20h, suction filtration reaction solution, filter cake methylene dichloride washes 3 times, collects filtrate, and after concentrated, column chromatography (chloroform: methyl alcohol=100:3) obtains 7,10-dimethoxy-10Dab III 4.6g, yield 43.7%.
Spectrum DetailBack Directory
[Spectrum Detail]

7,10-Dimethoxy-10-DAB III(183133-94-0)1HNMR
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