Cas no 92950-39-5 (7-Acetyl Paclitaxel)

7-Acetyl Paclitaxel structure
7-Acetyl Paclitaxel structure
Product Name:7-Acetyl Paclitaxel
CAS No:92950-39-5
MF:C49H53NO15
MW:895.942835569382
CID:806631
PubChem ID:4638107
Update Time:2024-10-26

7-Acetyl Paclitaxel Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanoic acid, b-(benzoylamino)-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-
    • 7-Acetyl Paclitaxel
    • ACETYLTAXOL, 7-(P)
    • Benzenepropanoic acid, b-(benzoylamino)-a-hydroxy-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-tris(acetyloxy)-12-(benzoylox
    • N-(2-hydroxy-3-oxo-1-phenyl-3-((4,6,12b-triacetoxy-12-(benzoyloxy)-11-hydroxy-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-9-
    • Paclitaxel
    • 7-Acetyltaxol
    • 7-Acetyl taxol
    • 7-O-Acetylpaclitaxel
    • (2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-4,6,12b-Tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-yl (αR,βS)-β-(benzoylamino)-α-hydroxybenzenepropanoate (ACI)
    • 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv. (ZCI)
    • Benzenepropanoic acid, β-(benzoylamino)-α-hydroxy-, 4,6,12b-tris(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-11-hydroxy-4a,8,13,13-tetramethyl-5-oxo-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)
    • Benzenepropanoic acid, beta-(benzoylamino)-alpha-hydroxy-, (2aR-(2aalpha,4beta,4abeta,6beta,9a(alphar*,betas*),11alpha,12alpha,12aalpha,12balpha))-
    • G90889
    • CHEMBL70999
    • QHVFIEKTXYELRR-XOVTVWCYSA-N
    • [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,9,12-triacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
    • 92950-39-5
    • Inchi： 1S/C49H53NO15/c1-26-33(63-45(58)38(54)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,41(55)39(62-28(3)52)36(26)46(49,5)6)34(61-27(2)51)23-35-48(40,25-60-35)65-29(4)53/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1
    • InChI Key： QHVFIEKTXYELRR-XOVTVWCYSA-N
    • SMILES： O([C@@]12CO[C@@H]1C[C@H](OC(=O)C)[C@]1(C([C@@H](C3=C(C)[C@@H](OC(=O)[C@H](O)[C@H](C4C=CC=CC=4)NC(C4C=CC=CC=4)=O)C[C@]([C@H]([C@H]21)OC(C1C=CC=CC=1)=O)(O)C3(C)C)OC(=O)C)=O)C)C(=O)C

Computed Properties

  • Exact Mass: 895.342
  • Monoisotopic Mass: 895.342
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 15
  • Heavy Atom Count: 65
  • Rotatable Bond Count: 16
  • Complexity: 1910
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 11
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.1
  • Topological Polar Surface Area: 227

Experimental Properties

  • Density: 1.38
  • Boiling Point: 956.4°Cat760mmHg
  • Flash Point: 532.2°C
  • Refractive Index: 1.624

7-Acetyl Paclitaxel Security Information

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7-Acetyl Paclitaxel Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrochloric acid Solvents: Methanol ,  Tetrahydrofuran ;  6 h, 25 °C
1.2 Reagents: Potassium bicarbonate Solvents: Water ;  3 h, 30 °C
Reference
Method for preparing 7-acetyltaxol
, China, , ,

Production Method 2

Reaction Conditions
Reference
Synthesis and evaluation of paclitaxel C7 derivatives: solution phase synthesis of combinatorial libraries
Bhat, Laxminarayan; Liu, Yanbin; Victory, Sam F.; Himes, Richard H.; Georg, Gunda I., Bioorganic & Medicinal Chemistry Letters, 1998, 8(22), 3181-3186

Production Method 3

Reaction Conditions
Reference
Modified taxols 4. Synthesis and biological activity of taxols modified in the side chain
Magri, Neal F.; Kingston, David G. I., Journal of Natural Products, 1988, 51(2), 298-306

Production Method 4

Reaction Conditions
1.1 Reagents: Pyridine, hydrofluoride (1:1) Solvents: Acetonitrile ,  Pyridine ;  0 °C; 0 °C → rt; overnight, rt
1.2 Reagents: Copper sulfate Solvents: Water ;  9000 h, rt
Reference
Structure-activity relationship study of taxoids for their ability to activate murine macrophages as well as inhibit the growth of macrophage-like cells
Ojima, Iwao; Fumero-Oderda, Cecilia L.; Kuduk, Scott D.; Ma, Zhuping; Kirikae, Fumiko; et al, Bioorganic & Medicinal Chemistry, 2003, 11(13), 2867-2888

Production Method 5

Reaction Conditions
1.1 Reagents: Zinc Solvents: Acetic acid
Reference
Synthesis of a tritium labeled derivative of the microtubular poison taxol
Chenu, J.; Takoudju, M.; Wright, M.; Senilh, V.; Guenard, D., Journal of Labelled Compounds and Radiopharmaceuticals, 1987, 24(10), 1245-55

Production Method 6

Reaction Conditions
Reference
Selective process for the deacylation and deacetylation of taxol and taxanes
, World Intellectual Property Organization, , ,

Production Method 7

Reaction Conditions
Reference
Deacetylation of paclitaxel and other taxanes
Zheng, Qun Y.; Darbie, Lynn G.; Cheng, Xiaoqin; Murray, Christopher K., Tetrahedron Letters, 1995, 36(12), 2001-4

Production Method 8

Reaction Conditions
Reference
Preparation and biological activity of taxol acetates
Mellado, Wilfredo; Magri, Neal F.; Kingston, David G. I.; Garcia-Arenas, Renee; Orr, George A.; et al, Biochemical and Biophysical Research Communications, 1984, 124(2), 329-36

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Tiancheng Chemical (Jiangsu) Co., Ltd
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(CAS:92950-39-5)7-紫杉醇
Order Number:LE25874593
Stock Status:in Stock
Quantity:25KG,200KG,1000KG
Purity:99%
Pricing Information Last Updated:Friday, 20 June 2025 12:50
Price ($):discuss personally

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Tiancheng Chemical (Jiangsu) Co., Ltd
(CAS:92950-39-5)7-紫杉醇
LE25874593
Purity:99%
Quantity:25KG,200KG,1000KG
Price ($):Inquiry
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