10-Deacetylbaccatin III

Synonym(s):10-Deacetylbaccatin III

CAS NO.：32981-86-5
Empirical Formula: C29H36O10
Molecular Weight: 544.59
MDL number: MFCD00132913
EINECS: 418-680-6
SAFETY DATA SHEET (SDS)
Update Date: 2024-11-20 11:41:24

What is 10-Deacetylbaccatin III?

Chemical properties

10-Deacetylbaccatin III is White Solid

The Uses of 10-Deacetylbaccatin III

10-Deacetylbaccatin III is a intermediate in the synthesis of Taxol and derivatives

The Uses of 10-Deacetylbaccatin III

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

The Uses of 10-Deacetylbaccatin III

10-Deacetyl Baccatin III is an impurity of Paclitaxel (P132500) and derivatives.

What are the applications of Application

10-Deacetylbaccatin-III is an intermediate for taxol analog preparations

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

Properties of 10-Deacetylbaccatin III

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)
Flash point:	>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
CAS DataBase Reference	32981-86-5(CAS DataBase Reference)

Safety information for 10-Deacetylbaccatin III

Signal word	Danger
Pictogram(s)	Exclamation Mark Irritant GHS07 Health Hazard GHS08
GHS Hazard Statements	H315:Skin corrosion/irritation H319:Serious eye damage/eye irritation H335:Specific target organ toxicity, single exposure;Respiratory tract irritation H340:Germ cell mutagenicity H350:Carcinogenicity H373:Specific target organ toxicity, repeated exposure
Precautionary Statement Codes	P201:Obtain special instructions before use. P302+P352:IF ON SKIN: wash with plenty of soap and water. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. P308+P313:IF exposed or concerned: Get medical advice/attention.

Computed Descriptors for 10-Deacetylbaccatin III

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]