CAS 32981-86-5|10-Deacetylbaccatin III
| Common Name | 10-Deacetylbaccatin III | ||
|---|---|---|---|
| CAS Number | 32981-86-5 | Molecular Weight | 544.590 |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 716.8±60.0 °C at 760 mmHg |
| Molecular Formula | C29H36O10 | Melting Point | 231-236 °C |
| MSDS | ChineseUSA | Flash Point | 233.5±26.4 °C |
Names
| Name | 10-deacetylbaccatin III |
|---|---|
| Synonym | More Synonyms |
10-Deacetylbaccatin III BiologicalActivity
| Description | 10-Deacetylbaccatin-III is an intermediate for taxol analog preparations. IC50 value:Target: Taxols have exhibit antitumor agents. Several of these taxols can be synthesized from 10- Deacetylbaccatin-III. 10-Deacetylbaccine III is the fifth intermediate of paclitaxel biosynthesis. The biosynthetic pathway consists of approximately 20 enzymatic steps but is not fully elucidated. 10-Deacetylbaccine III is an antineoplastic agent and an anti-cancer intermediate. |
|---|---|
| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Cancer |
| References | [1]. Li S, Zhang P, Zhang M, Fu C, Yu L. Functional analysis of a WRKY transcription factor involved in transcriptional activation of the DBAT gene in Taxus chinensis. Plant Biol (Stuttg). 2013 Jan;15(1):19-26. [2]. Naill MC, Kolewe ME, Roberts SC. Paclitaxel uptake and transport in Taxus cell suspension cultures. Biochem Eng J. 2012 Apr 15;63:50-56. [3]. Qayum M, Nisar M, Shah MR, et al. Analgesic and antiinflammatory activities of taxoids from Taxus wallichiana Zucc. Phytother Res. 2012 Apr;26(4):552-6. [4]. Kevin Walker and Rodney Croteau. Taxol biosynthesis: Molecular cloning of a benzoyl- CoA:taxane 2α-O-benzoyltransferase cDNA from Taxus and functional expression in Escherichia coli. PNAS, 2000 , 97（25）：13591-13596. |
Chemical & Physical Properties
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 716.8±60.0 °C at 760 mmHg |
| Melting Point | 231-236 °C |
| Molecular Formula | C29H36O10 |
| Molecular Weight | 544.590 |
| Flash Point | 233.5±26.4 °C |
| Exact Mass | 544.230835 |
| PSA | 159.82000 |
| LogP | 3.51 |
| Vapour Pressure | 0.0±2.4 mmHg at 25°C |
| Index of Refraction | 1.624 |
| InChIKey | YWLXLRUDGLRYDR-ZHPRIASZSA-N |
| SMILES | CC(=O)OC12COC1CC(O)C1(C)C(=O)C(O)C3=C(C)C(O)CC(O)(C(OC(=O)c4ccccc4)C21)C3(C)C |
| Water Solubility | INSOLUBLE |
Safety Information
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| Hazard Codes | T:Toxic |
| Risk Phrases | R23/24/25 |
| Safety Phrases | S45-S38-S36/37/39-S28A |
| RIDADR | 1544 |
| WGK Germany | 3 |
| Packaging Group | III |
| Hazard Class | 6.1(b) |
Articles4
More Articles| Disposition of [G-(3)H]paclitaxel and cremophor EL in a patient with severely impaired renal function. Drug Metab. Dispos. 27 , 1300, (1999) In the present work, we studied the pharmacokinetics and metabolic disposition of [G-(3)H]paclitaxel in a female patient with recurrent ovarian cancer and severe renal impairment (creatinine clearance... | |
| Molecular mechanisms of patupilone resistance. Cancer Res. 68 , 10197-10204, (2008) Patupilone is an epothilone in advanced clinical development that has shown promising efficacy in heavily pretreated patients. This study aimed at characterizing the mechanisms of patupilone activity ... | |
| Taxol biosynthesis: Molecular cloning of a benzoyl- CoA:taxane 2-O-benzoyltransferase cDNA from Taxus and functional expression in Escherichia coli Kevin Walker and Rodney Croteau PNAS Proc. 10th Am. Peptide Symp 97 , 13591-13596, (2000) |
Synonyms
| 10-Dab |
| 10-DAB (10-Deacetylbaccatin) |
| MFCD00132913 |
| EINECS 418-680-6 |
| (2α,5β,7β,10α,13α)-4-Acetoxy-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
| (2α,5β,7β,10β,13α)-4-(acetyloxy)-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
| 10-Deacetylbaccatine |
| 10-deacetylbaccatin11 |
| 10-DAB-III |
| 10DBA III |
| 10-Deacetyl |
| 10-DEACETYLBACCATIN |
| 10-Deacetylbaccatin-III |
| 10-desacetylbaccatin III |
| 10-Deacetylbaccatin III |
| DESACETYLBACCATINE |
| Docetaxel impurity E |
| 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-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6S,9S,11S,12S,12aR,12bS)- |
| (2α,5β,7β,10β,13α)-4-Acetoxy-1,7,10,13-tetrahydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate |
| 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-4,6,9,11-tetrahydroxy-4a,8,13,13-tetramethyl-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)- |
