10-Deacetyl-7-xylosyl Paclitaxel

Basic Information

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CAS Number

90332-63-1

Molecular Formula

C50H57NO17

Molecular Weight

944 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Physical State

C50H57NO17

SMILES

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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-DYLQFHMVSA-N

LogP

1.6282000000000014

Topological Polar Surface Area

274.13999999999993 Å²

Hydrogen Bond Donor/Acceptor

7 / 18

Complexity

1940

Synonyms & References

English

7-Xylosyl-10-deacetyltaxol
10-Deacetyltaxol 7-xyloside
b-(Benzoylamino)-a-hydroxy-benzenepropanoic acid [2aR-[2aa,4b,4ab,6b,9a(aR*,bS*),11a,12a,12aa,12ba]]-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(b-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester
10-Deacetyl-7-xylosyl Paclitaxel
7-XYLOXYL-10-DEACETYL TAXOL
10-Deacetyl-7-xylosyltaxol
10-Deacetylpaclitaxel 7-Xyloside
b-(Benzoylamino)-a-hydroxy-benzenepropanoic acid [2aR-[2aa,4b,4ab,6b,9a(aR*,bS*),11a,12a,12aa,12ba]]-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodec
[ "" ]
[(2S,3R,7R,9R,12S,15S)-4-Acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihy
7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv. (ZCI)
Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(β-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, [2aR-[2aα,4β,4aβ,6β,9α(αR*,βS*),11α,12α,12aα,12bα]]- (ZCI)
10-Deacetyl-7-xylosylpaclitaxel
10-Deacetylpaclitaxel 7-xyloside
7-Xylosyl-10-deacetylpaclitaxel
7β-Xylosyl-10-deacetyltaxol
10-Deacetyl-7-xylosyl paclitaxel
(2aS,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy)-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(((2S,3R,4S,5R)-3,4,5-trihydroxytetrahydro-2H-pyran-2-yl)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 benzoate
FG7GB8N4YQ
HY-20584
AKOS037515410
Benzenepropanoic acid, b-(benzoylamino)-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(b-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (aR,bS)-
90332-63-1
[(1S,2S,3R,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[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
10-deacetyl-7-xylosyl paclitaxel (62%)
Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-6,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-4-(beta-D-xylopyranosyloxy)-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl ester, (alphaR,betaS)-
PD100896
CHEMBL3398367
(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-1,12-dihydroxy-15-{[(2R,3S)-2-hydroxy-3-phenyl-3-(phenylformamido)propanoyl]oxy}-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),(1)?.0?,?]heptadec-13-en-2-yl benzoate
7beta-Xylosyl-10-deacetyltaxol
10-Deacetyltaxol 7-Xyloside

MDL Number

MFCD09039072

FAQ

What are the physical and chemical properties of 10-Deacetyl-7-xylosyl Paclitaxel (CAS: 90332-63-1)?

10-Deacetyl-7-xylosyl Paclitaxel (CAS: 90332-63-1) is a crystalline compound with a molecular weight of approximately 645.8 g/mol. It has a low solubility in water but is soluble in organic solvents such as methanol and ethanol. Chemically, it is relatively stable but can react with strong oxidizers. It is typically used in pharmaceutical applications due to its structural complexity and biological activity.

How is 10-Deacetyl-7-xylosyl Paclitaxel (CAS: 90332-63-1) typically synthesized?

10-Deacetyl-7-xylosyl Paclitaxel (CAS: 90332-63-1) is synthesized through a series of chemical reactions, often starting from the natural product paclitaxel. The synthesis involves deacetylation and glycosylation steps. Commonly used catalysts include strong acids like trifluoroacetic acid. The reaction yields are typically around 70-80%, and the process requires careful control of reaction conditions to achieve the desired selectivity.

What industries use 10-Deacetyl-7-xylosyl Paclitaxel (CAS: 90332-63-1)?

10-Deacetyl-7-xylosyl Paclitaxel (CAS: 90332-63-1) is primarily used in the pharmaceutical industry for the development of anticancer drugs. It is also of interest in the agricultural sector for its potential as a plant growth regulator. Additionally, it may have applications in the food industry as a preservative and in the development of sensors and semiconductors due to its chemical structure.

What precautions should be taken when handling 10-Deacetyl-7-xylosyl Paclitaxel (CAS: 90332-63-1)?

When handling 10-Deacetyl-7-xylosyl Paclitaxel (CAS: 90332-63-1), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, laboratory coat, and safety goggles. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using an appropriate absorbent material, and the area should be thoroughly decontaminated. Always refer to the Safety Data Sheet (SDS) for detailed guidance on handling and disposal.