10-Deacetylbaccatin III

Modify Date: 2025-08-22 13:19:46

10-Deacetylbaccatin III Structure
10-Deacetylbaccatin III structure
 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 Chinese USA Flash Point 233.5±26.4 °C

 Use of 10-Deacetylbaccatin III


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.

 Names

Name 10-deacetylbaccatin III
Synonym More Synonyms

 10-Deacetylbaccatin III Biological Activity

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
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)

 Synthetic Route

 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)-
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