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)

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

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

MSDS

• Language:English Provider:SigmaAldrich
• Language:English Provider:ACROS

10-Deacetylbaccatin III Usage And Synthesis

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(32981-86-5)Related Product Information

• Acetylferrocene
• Acetylacetone
• N-ACETYL-L-TYROSINE ETHYL ESTER
• Baccatine III
• (2R,3S)-N-Benzoyl-3-phenyl Isoserine
• Docetaxel Metabolite M4
• 10-Oxo Docetaxel
• 13-O-(Triethylsilyl) Baccatin III
• 2-Debenzoyl-2-pentenoyl Docetaxel
• Docetaxel Impurity 5
• Docetaxel impurity 1/(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-6,9,11-trihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(((2,2,2-trichloroethoxy)carbonyl)oxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-1H-7,11-methanocyclodeca[3,4]benzo[1,2-b]oxet-12-yl
• Docetaxel Impurity 36
• Docetaxel
• (2S,3S)-methyl 3-(tert-butoxycarbonylamino)-2-hydroxy-3-phenylpropanoate
• HLCSYHHJEMPKSY-RRKHLBDSSA-N
• 4-Dichloroethoxy-carbonyl docetaxel
• 2-Azetidinone, 3-hydroxy-4-phenyl-1-[(1S)-1-phenylethyl]-, (3R,4S)-
• Docetaxel Impurity 15