Baccatine III CAS 27548-93-2

Introduction：Basic information about Baccatine III CAS 27548-93-2, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Baccatine III Basic information

• Product Name: Baccatine III
• Synonyms: BACCATINE III;BACCATIN III;(1S)-4α,10β-Bis(acetoxy)-2α-(benzoyloxy)-5β,20-epoxy-1,7β,13α-trihydroxytaxa-11-ene-9-one;(2aR)-6α,12bβ-Bisacetoxy-12β-(benzoyloxy)-1,2aβ,3,4,4a,6,9,10,11,12,12aβ,12b-dodecahydro-4α,9β,11β-trihydroxy-4aα,8,13,13-tetramethyl-7,11-methano-5H-cyclodeca[3,4]benzo[1,2-b]oxete-5-one;(2aR)-6α,12bβ-Diacetoxy-12β-benzoyloxy-1,2aβ,3,4,4a,6,9,10,11,12,12aβ,12b-dodecahydro-4α,9β,11β-trihydroxy-4aα,8,13,13-tetramethyl-7,11α-methano-5H-cyclodeca[3,4]benzo[1,2-b]oxete-5-one;6α,12bβ-Diacetoxy-12β-benzoyloxy-1,2aβ,3,4,4a,6,9,10,11,12,12aβ,12b-dodecahydro-4α,9β,11β-trihydroxy-4aα,8,13,13-tetramethyl-7,11α-methano-5H-cyclodeca[3,4]benzo[1,2-b]oxete-5-one;Baccatine III,95%;baccatin Ⅲ
• CAS: 27548-93-2
• MF: C31H38O11
• MW: 586.63
• Product Categories: Inhibitors;API;Intermediates & Fine Chemicals;Pharmaceuticals;Aromatics;Chiral Reagents;Heterocycles
• Mol File: 27548-93-2.mol

Baccatine III Chemical Properties

• Melting point: 229-234 °C
• Boiling point: 562.81°C (rough estimate)
• density: 1.2062 (rough estimate)
• refractive index: 1.5455-1.5475
• storage temp.: Sealed in dry,Store in freezer, under -20°C
• solubility: DMSO : 125 mg/mL (213.08 mM; Need ultrasonic)
• pka: 12.76±0.70(Predicted)
• form: Solid
• color: White to off-white
• Water Solubility: insoluble
• Stability: 4 Year Shelf Life
• InChIKey: OVMSOCFBDVBLFW-VHLOTGQHSA-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](OC(C)=O)C(=O)[C@]3(C)[C@@H](O)C[C@@]12[H]
• CAS DataBase Reference: 27548-93-2

Safety Information

• Hazard Codes: T
• Risk Statements: 45-46-22-36/37/38-48/20/22
• Safety Statements: 53-22-26-36/37/39-45-24/25
• 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 SE 3

Baccatine III Usage And Synthesis

Chemical Properties

White to Off-White Powder

Uses

A precursor to Paclitaxel, a neoplasm inhibitor to ovarian and breast cancers found in Taxus species

Uses

immunomodulator, induces apoptosis

Definition

ChEBI: A tetracyclic diterpenoid isolated from plant species of the genus Taxus.

in vivo

Baccatin III (0.05-0.5 mg/kg; intragastrically; once daily; 17-19 days) significantly inhibits tumor growth and reduced accumulation of myeloid-derived suppressor cells (MDSCs) in BALB/c mice with 4T1 breast cancer or CT26 colon cancer^[1].
Baccatin III (5-10 mg/kg; intraperitoneally; single; 21 days) alleviates Bleomycin (HY-108345)-induced lung fibrosis in C57BL/6 mice by inhibiting TGF-β1^[2].