10-Deacetylbaccatin III

10-Deacetylbaccatin III Basic information
Product Name:10-Deacetylbaccatin III
Synonyms:10-deacetylbaccatin11;10-deacetylbaccatiniii(extaxusbaccata);10-DEACETYLBACCATIN III FROMTAXUS BACCAT A;10-Dab98.5%;10-Deacetylbaccatine(III);10-Deacetyl Baccatin ¢;10-Deacetylbaccatine;10-DAB III(10-DEACETYL BACCATIN III) 99%
CAS:32981-86-5
MF:C29H36O10
MW:544.59
EINECS:418-680-6
Product Categories:Intermediates & Fine Chemicals;Pharmaceuticals;Antibiotics;Antibiotics A to;Antibiotics A-FAntibiotics;Antibiotics by Application;Antineoplastic and Immunosuppressive AntibioticsAntibiotics;Interferes with DNA Synthesis;Mechanism of Action;APIS;Pharmaceutical intermediate;plant extract;Inhibitors;chemical reagent;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract;Miscellaneous Natural Products;API;32981-86-5
Mol File:32981-86-5.mol
10-Deacetylbaccatin III Structure
10-Deacetylbaccatin III Chemical Properties
Melting point 231-236 °C
Boiling point 717℃
alpha -44.5 º (c=1, methanol 25 ºC)
density 1.2007 (rough estimate)
refractive index 1.5376 (estimate)
Fp >110°(230°F)
storage temp. Sealed in dry,Room Temperature
solubility methanol: soluble, clear, colorless (5 mg + 0.1 mL MeOH)
form Powder
pka11.50±0.70(Predicted)
color white
Water Solubility INSOLUBLE
InChIKeyYWLXLRUDGLRYDR-IYNRKYTHSA-N
SMILESO1C[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](O)C(=O)[C@]3(C)[C@@H](O)C[C@@]12[H]
LogP0.156 (est)
CAS DataBase Reference32981-86-5(CAS DataBase Reference)
Safety Information
Hazard Codes T
Risk Statements 23/24/25
Safety Statements 45-38-36/37/39-28A-24/25
RIDADR 1544
WGK Germany 3
HazardClass 6.1(b)
PackingGroup III
HS Code 29329990
MSDS Information
ProviderLanguage
ACROS English
SigmaAldrich English
10-Deacetylbaccatin III Usage And Synthesis
Chemical Properties10-Deacetylbaccatin III is White Solid
Uses10-Deacetylbaccatin III is a intermediate in the synthesis of Taxol and derivatives
Uses10-Deacetyl Baccatin III is an impurity of Paclitaxel (P132500) and derivatives.
Uses10-DAB (10-Deacetylbaccatin) is an antineoplastic agent and an anti-cancer intermediate. 10-DAB (10-Deacetylbaccatin) has gained great attention because of its partly excellent anti-cancer properties. 10-DAB (10-Deacetylbaccatin) can be gained from the le
DefinitionChEBI: 10-deacetylbaccatin III is a tetracyclic diterpenoid and a secondary alpha-hydroxy ketone. It is functionally related to a baccatin III.
General Description10-Deacetylbaccatin III, also known as Paclitaxel Impurity 19, is an impurity of Paclitaxel. Paclitaxel is a chemotherapy drug. Chemotherapy is a treatment that destroys cancer cells using anti-cancer drugs. Paclitaxel is the non-branded name of the drug, but you may hear it called by one of its brand names such as Taxol. Some people are given a drug called nab-paclitaxel (Abraxane).
Biological Activity10-dab (also known as 10-deacetylbaccatin) is an intermediate used for the preparation of taxol, an anti-leukemic and tumor-inhibiting agent isolated from the inner bark of the pacific yew tree taxus brevifolia as well as other species of the genus taxus. due to the low availability of taxol from its natural sources, 10-dab is used as a raw material for the preparation of taxol and its derivatives. being easily extracted from the annual cute of the yew leaves, 10-dab has a very folded chemical structure with the α hydroxyl group hindered at c-13 easily to form a hydrogen bond with the 4α acetyl group.f. gueritte-voegelein, v. senilh, b. david, d. guenard and p. potier. chemical studies of 10-deacetyl baccatin iii hemisynthesis of taxol derivatives. tetrahedron 1986; 42(16): 4451-4460
10-Deacetylbaccatin III Preparation Products And Raw materials
Preparation Products7,10-Dimethoxy-10-DAB III
ACETOPROPYLACETATE N-VALEROIN N-ACETYL-L-TYROSINE ETHYL ESTER 3-METHYL-2-CYCLOHEXEN-1-OL 1,2-CYCLODODECANEDIOL tributyl acetocitrate 3-METHOXY-3-METHYLBUTYL ACETATE 5-HYDROXYCYCLOOCTANONE CIS-1,2-CYCLOHEXANEDIMETHANOL 4-ACETOXY-4-METHYL-1-PENTANAL 2-METHYL-2-CYCLOHEXEN-1-OL METHOXYMELONAL (S,S)-(+)-1,2-CYCLODODECANEDIOL (E)-5-DECEN-1-YL ACETATE (R,R)-(-)-1,2-CYCLODODECANEDIOL 1-CYCLOHEXYL-2-HYDROXYETHANONE 1-CYCLOHEXENYL ACETONE CYCLOOCTANEMETHANOL

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