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(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoa te | CAS No. 183133-96-2

(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoa te

Basic Information

Chemical_Structure_Of
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CAS Number

183133-96-2

Molecular Formula

C45H57NO14

Molecular Weight

835.94 g/mol

AD

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

Melting Point

180°C

SMILES

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CO[C@H]1C[C@H]2OC[C@@]2(OC(=O)C)[C@H]3[C@H](OC(=O)c4ccccc4)[C@]5(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)c6ccccc6)C(=C([C@@H](OC)C(=O)[C@]13C)C5(C)C)C

InChI

InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)/t28-,29-,30+,32-,33+,34+,35-,37-,43+,44-,45+/m0/s1

InChIKey

BMQGVNUXMIRLCK-OAGWZNDDSA-N

LogP

4.567800000000003

Topological Polar Surface Area

202.44999999999996 Ų

Hydrogen Bond Donor/Acceptor

3 / 15

Complexity

1690

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H361 Suspected of damaging fertility or the unborn child
Reproductive toxicity

Synonyms & References

English

  • Cabazitaxel
  • (1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-(acetyloxy)-15-{[(2R,3S)-3-{[(tert-butoxy)carbonyl]amino}-2-hydroxy-3-phenylpropanoyl]oxy}-1-hydroxy-9,12-dimethoxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04'7]heptadec-13-en-2-ylbenzoate
  • Cabazitaxelum
  • Jevtana
  • RPR116258A
  • RPR-116258A
  • Taxoid XRP6258
  • TXD258
  • XRP6258
  • XRP-6258
  • 1-hydroxy-7β,10β-dimethoxy-9-oxo-5β,20-epoxytax-11-ene-2α,4,13α-triyl 4-acetate 2-benzoate 13-[(2R,3S)-3-[[(tert-butoxy)carbonyl]amino]-2-hydroxy-3-phenylpropanoate]
  • DEP cabazitaxel
  • dimethoxydocetaxel
  • TXD-258
  • Cabazitaxel(XRP-6258)
  • 7β, 10β-DiMethoxydocetaxel
  • 7beta, 10beta-DiMethoxydocetaxel
  • Cabazitaxel (This product is only available in Japan.)
  • [2aR[2aalpha,4beta,4abeta,6beta,9alpha(2R,3S),11beta,12alpha,12aalpha,12balpha]
  • Cabazitaxel impurty
  • BCP27641
  • [(1S,3R,4S,9S,10S,12R)-4-Acetyloxy-1-hydroxy-15-[2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]
  • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-12b-acetoxy-9-(((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-3-phenylpropanoyl)oxy)-11-hydroxy-4
  • 6-dimethoxy-4a,8,13,13-tetramethyl-5-oxo-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

MDL Number

MFCD18827611

Customs Code

2942000000

FAQ

What is (2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate (CAS: 183133-96-2)?
This is a complex organic compound with the CAS number 183133-96-2. It is a derivative of taxol, commonly known as paclitaxel, and contains multiple functional groups such as hydroxyl, methoxy, and ester groups. The compound is characterized by its intricate stereochemistry and is often studied in pharmaceutical and research contexts due to its potential biological activity.

What are the main uses of (2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate (CAS: 183133-96-2)?
This compound is primarily used in pharmaceutical research as a potential analog of paclitaxel, which is an anti-cancer drug. It may also serve as a precursor in the synthesis of taxane derivatives and is studied for its biological properties and applications in drug development. Its use extends to medicinal chemistry and bioorganic research fields.

Is (2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate (CAS: 183133-96-2) safe?
The safety of this compound depends on its specific application and exposure conditions. As a taxane derivative, it may exhibit some toxicity similar to paclitaxel, necessitating careful handling. Protective measures such as gloves and proper ventilation should be used when working with it. Safety data should be reviewed according to current chemical safety standards for appropriate use.

How should (2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate (CAS: 183133-96-2) be stored?
This compound should be stored in a cool, dry, and dark place, away from moisture and light. It is typically kept in a sealed container at a temperature below 25°C to maintain stability. Proper storage conditions are essential to prevent degradation and ensure the compound remains effective for its intended use.

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(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoa te — Hubei Yangxin Pharmaceutical Technology Co., Ltd.

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(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoa te — Beijing Zhongshuo Pharmaceutical Technology Development Co., Ltd.

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(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoa te — ShenZhenZhenJiangShengWuJiShu Co Ltd

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(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoa te — HuBeiBaiDuHuaXue Co Ltd

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(2alpha,5beta,7beta,10beta,13alpha)-4-Acetoxy-1-hydroxy-13-{[(2R,3S)-2-hydroxy-3-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-3-phenylpropanoyl]oxy}-7,10-dimethoxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoa te — JiangSuAiKangShengWuYiYaoYanFa Co Ltd

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