7-Xylosyl-10-deacetyltaxol

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For Research Use Only.

Category

Diterpenoids

Cat.No.

NP1524

CAS

90332-63-1

Product Name

7-Xylosyl-10-deacetyltaxol

Structure

Product Details

Description

10-Deacetyl-7-xylosyl paclitaxel is a Paclitaxel derivative with improved pharmacological features and higher water solubility.

Synonyms

10-Deacetyl-7-xylosyltaxol; 10-Deacetylpaclitaxel 7-Xyloside; 10-Deacetyltaxol 7-Xyloside; 7β-Xylosyl-10-deacetyltaxol

IUPAC Name

[(1S,2S,3S,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.0^3,10.0^4,7]heptadec-13-en-2-yl] benzoate

Molecular Weight

943.98

Molecular Formula

C50H57NO17

Canonical SMILES

CC1=C2C(C(=O)C3(C(CC4C(C3C(C(C2(C)C)(CC1OC(=O)C(C(C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)OC8C(C(C(CO8)O)O)O)C)O

InChI

InChI=1S/C50H57NO17/c1-25-31(65-45(61)38(56)35(27-15-9-6-10-16-27)51-43(59)28-17-11-7-12-18-28)22-50(62)42(67-44(60)29-19-13-8-14-20-29)40-48(5,41(58)37(55)34(25)47(50,3)4)32(21-33-49(40,24-64-33)68-26(2)52)66-46-39(57)36(54)30(53)23-63-46/h6-20,30-33,35-40,42,46,53-57,62H,21-24H2,1-5H3,(H,51,59)/t30-,31+,32+,33-,35+,36+,37-,38-,39-,40-,42+,46+,48-,49+,50-/m1/s1

InChIKey

ORKLEZFXASNLFJ-ODBGVJAMSA-N

Boiling Point

1068.4±65.0 °C (Predicted)

Melting Point

> 228 °C (dec.)

Flash Point

599.9±34.3 °C

Purity

>98%

Density

1.460±0.10 g/cm3 (Predicted)

Solubility

Slightly soluble in DMSO (heated, sonicated), methanol (heated, sonicated)

Appearance

White to Off-white Solid

Application

ADCs Cytotoxin

Shelf Life

≥12 months if stored properly

Storage

-20 °C under inert atmosphere

Chemical Properties

Off-White Solid

Color

Yellow

Form

Powder

pKa

11.26±0.70(Predicted)

Stability

Hygroscopic

Uses

A metabolite of Paclitaxel.

Vapor Pressure

0.0±0.3 mmHg at 25°C

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