- Antitumor drug conjugate modified by saturated fatty acid and its self-assembly nanosystem, and preparation method thereof, China, , ,
Cas no 92950-40-8 (2'-Acetyltaxol)
2'-Acetyltaxol structure
Product Name:2'-Acetyltaxol
CAS No:92950-40-8
MF:C49H53NO15
MW:895.942835569382
CID:807753
PubChem ID:124951
Update Time:2024-10-26
2'-Acetyltaxol Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanoic acid, a-(acetyloxy)-b-(benzoylamino)-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca[3,4]benz[1,2-b]oxet-9-ylester, (aR,bS)-
- 2'-ACETYLTAXOL
- ACETYLTAXOL, 2'-(SH)
- Benzenepropanoic acid, a-(acetyloxy)-b-(benzoylamino)-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,...
- Benzenepropanoic acid, a-(acetyloxy)-b-(benzoylamino)-,(2aR,4S,4aS,6R,9S,11S,12S,12aR,12bS)-6,12b-bis(acetyloxy)-12-(benzoylo
- 2',10-diacetyltaxane
- 2'-acetylpaclitaxel
- 2'-O-acetyl-paclitaxel
- 2'-O-Acetyltaxol
- ACETYLTAXOL,2'
- 7,11-Methano-1H-cyclodeca[3,4]benz[1,2-b]oxete, benzenepropanoic acid deriv. (ZCI)
- Benzenepropanoic acid, α-(acetyloxy)-β-(benzoylamino)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-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)
- 2′-Acetylpaclitaxel
- 2′-Acetyltaxol
- Paclitaxel-2′-acetate
- CHEMBL302351
- DTXSID001317325
- Benzenepropanoic acid, alpha-(acetyloxy)-beta-(benzoylamino)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR
- 92950-40-8
- [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-2-acetyloxy-3-benzamido-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
- Taxol 2'-acetate
- SCHEMBL15381848
- Benzenepropanoic acid, alpha-(acetyloxy)-beta-(benzoylamino)-, 6,12b-bis(acetyloxy)-12-(benzoyloxy)-2a,3,4,4a,5,6,9,10,11,12,12a,12b-dodecahydro-4,11-dihydroxy-4a,8,13,13-tetramethyl-5-oxo-7,11-methano-1H-cyclodeca(3,4)benz(1,2-b)oxet-9-yl ester, (2aR)
- 2a(2)-Acetyltaxol
- 2'-Acetyltaxol
-
- Inchi： 1S/C49H53NO15/c1-26-33(63-45(58)39(62-28(3)52)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(7,34(54)23-35-48(40,25-60-35)65-29(4)53)41(55)38(61-27(2)51)36(26)46(49,5)6/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： IHVCSECZNFZVKP-XOVTVWCYSA-N
- SMILES： O([C@@]12CO[C@@H]1C[C@H](O)[C@@]1([C@@H]2[C@@H]([C@@]2(C[C@H](OC(=O)[C@H](OC(=O)C)[C@H](C3C=CC=CC=3)NC(C3C=CC=CC=3)=O)C(C)=C([C@H](C1=O)OC(=O)C)C2(C)C)O)OC(C1C=CC=CC=1)=O)C)C(=O)C
Computed Properties
- Exact Mass: 895.34200
- 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: 227A^2
Experimental Properties
- Density: 1.38
- Boiling Point: 956.3°Cat760mmHg
- Flash Point: 532.1°C
- Refractive Index: 1.624
- PSA: 227.36000
- LogP: 4.69740
2'-Acetyltaxol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A189723-50mg |
2'-Acetyltaxol |
92950-40-8 | 50mg |
$ 299.00 | 2023-04-19 | ||
| TRC | A189723-100mg |
2'-Acetyltaxol |
92950-40-8 | 100mg |
$ 529.00 | 2023-04-19 | ||
| TRC | A189723-250mg |
2'-Acetyltaxol |
92950-40-8 | 250mg |
$ 800.00 | 2023-09-09 | ||
| TRC | A189723-500mg |
2'-Acetyltaxol |
92950-40-8 | 500mg |
$ 1832.00 | 2023-04-19 | ||
| Chengdu Biopurify Phytochemicals Ltd | BP4789-10mg |
2'-Acetyltaxol |
92950-40-8 | 98% | 10mg |
$270 | 2023-09-19 | |
| Chengdu Biopurify Phytochemicals Ltd | BP4789-20mg |
2'-Acetyltaxol |
92950-40-8 | 98% | 20mg |
$450 | 2023-09-19 | |
| Chengdu Biopurify Phytochemicals Ltd | BP4789-5mg |
2'-Acetyltaxol |
92950-40-8 | 98% | 5mg |
$160 | 2023-09-19 | |
| Chengdu Biopurify Phytochemicals Ltd | BP4789-10mg |
2'-Acetyltaxol |
92950-40-8 | 98% | 10mg |
$270 | 2023-09-19 | |
| Chengdu Biopurify Phytochemicals Ltd | BP4789-20mg |
2'-Acetyltaxol |
92950-40-8 | 98% | 20mg |
$450 | 2023-09-19 | |
| Chengdu Biopurify Phytochemicals Ltd | BP4789-5mg |
2'-Acetyltaxol |
92950-40-8 | 98% | 5mg |
$160 | 2023-09-19 |
2'-Acetyltaxol Production Method
Production Method 1
Reaction Conditions
1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; 12 h, rt
Reference
Production Method 2
Reaction Conditions
1.1 Reagents: Cerium trichloride Solvents: Acetic anhydride , Tetrahydrofuran ; rt
1.2 Reagents: Sodium bicarbonate Solvents: Water
1.2 Reagents: Sodium bicarbonate Solvents: Water
Reference
- Process for synthesizing taxol from 10-deacetyl taxol, China, , ,
Production Method 3
Reaction Conditions
1.1 Catalysts: Scandium nitrate Solvents: 1,4-Dioxane ; rt
1.2 rt; 5 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water
1.2 rt; 5 h, rt
1.3 Reagents: Sodium bicarbonate Solvents: Water
Reference
- A precess for preparation of Taxol and Baccatin derivatives, World Intellectual Property Organization, , ,
Production Method 4
Reaction Conditions
1.1 Reagents: Dicyclohexylcarbodiimide Catalysts: 4-(Dimethylamino)pyridine Solvents: Dichloromethane ; 12 h, rt
Reference
- Effect of XlogP and Hansen Solubility Parameters on Small Molecule Modified Paclitaxel Anticancer Drug Conjugates Self-Assembled into NanoparticlesZhong, Ting; Hao, Yan-Li; Yao, Xin; Zhang, Shuang; Duan, Xiao-Chuan; et al, Bioconjugate Chemistry, 2018, 29(2), 437-444
Production Method 5
Reaction Conditions
1.1 Reagents: Cerium trichloride Solvents: Tetrahydrofuran ; 30 min, rt
1.2 2 h, rt
1.2 2 h, rt
Reference
- Method for synthesis of taxanoids, World Intellectual Property Organization, , ,
2'-Acetyltaxol Raw materials
2'-Acetyltaxol Preparation Products
2'-Acetyltaxol Related Literature
-
1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
92950-40-8 (2'-Acetyltaxol) Related Products
- 153212-75-0(6-Hydroxytaxol)
- 78432-77-6(10-Deacetyltaxol)
- 71610-00-9(Cephalomannine)
- 153415-45-3(Paclitaxel C)
- 92950-39-5(7-Acetyl Paclitaxel)
- 33069-62-4(Paclitaxel)
- 78454-17-8(7-Epi 10-desacetyl paclitaxel)
- 132160-32-8(3’-p-Hydroxy Paclitaxel)
- 157230-10-9(6α,3'-p-Dihydroxy Paclitaxel)
- 105454-04-4(7-Epi-Taxol)
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