10-Deacetylbaccatin III CAS 32981-86-5
Introduction：Basic information about 10-Deacetylbaccatin III CAS 32981-86-5, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
10-Deacetylbaccatin III Basic information
| Product Name: | 10-Deacetylbaccatin III |
| Synonyms: | 10-Deacetyl Baccatin lll;Deacetylbaccatin III;10-deacetylbaccatin11;10-deacetylbaccatiniii(extaxusbaccata);10-DAB;10-DEACETYLBACCATIN III FROMTAXUS BACCAT A;10-Dab98.5%;10-Deacetylbaccatine(III) |
| 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;plant extract;Inhibitors;chemical reagent;phytochemical;reference standards from Chinese medicinal herbs (TCM).;standardized herbal extract;API;Miscellaneous Natural Products;32981-86-5;Pharmaceutical intermediate |
| Mol File: | 32981-86-5.mol |
10-Deacetylbaccatin III Chemical Properties
| Melting point | 231-236 °C |
| alpha | -44.5 º (c=1, methanol 25 ºC) |
| Boiling point | 717℃ |
| 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 |
| pka | 11.50±0.70(Predicted) |
| color | white |
| Water Solubility | INSOLUBLE |
| InChIKey | YWLXLRUDGLRYDR-IYNRKYTHSA-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](O)C(=O)[C@]3(C)[C@@H](O)C[C@@]12[H] |
| LogP | 0.156 (est) |
| CAS DataBase Reference | 32981-86-5(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 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Carc. 1B Eye Irrit. 2 Muta. 1B Skin Irrit. 2 STOT RE 2 STOT SE 3 |
| Chemical Properties | 10-Deacetylbaccatin III is White Solid |
| Uses | 10-Deacetylbaccatin III is a intermediate in the synthesis of Taxol and derivatives |
| Uses | 10-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 |
| Uses | 10-Deacetyl Baccatin III is an impurity of Paclitaxel (P132500) and derivatives. |
| Definition | ChEBI: 10-deacetylbaccatin III is a tetracyclic diterpenoid and a secondary alpha-hydroxy ketone. It is functionally related to a baccatin III. |
| General Description | 10-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 Activity | 10-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 Products | 7,10-Dimethoxy-10-DAB III |
