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10-Deacetyltaxol - ≥98%, high purity , CAS No.78432-77-6

COA COA
    Grade & Purity:
  • ≥98%
In stock
Item Number
D276061
Grouped product items
SKU Size
Availability
 Price Qty
D276061-5mg
5mg
3
$128.90
D276061-10mg
10mg
2
$218.90
D276061-25mg
25mg
2
$492.90
D276061-100mg
100mg
1
$1,773.90
D276061-250mg
250mg
1
$3,991.90
Wish List
Bulk Order  SDS  DATASHEET  Specification Sheet

Antineoplastic agent

View related series
Cell Cycle (2830) Cell Cycle/DNA Damage (2602) Cytoskeleton (498) Microtubule/Tubulin (199)

Basic Description

Synonyms (2beta,5beta,7alpha,8alpha,10alpha,13alpha)-4-(acetyloxy)-13-({(2R,3S)-3-[(benzenecarbonyl)amino]-2-hydroxy-3-phenylpropanoyl}oxy)-1,7,10-trihydroxy-9-oxo-5,20-epoxytax-11-en-2-yl benzoate | AS-57909 | B77R96LJLK | 10-Deacetylpaclitaxel | 10-deacetyl-pacl
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms Antineoplastic agent. Bioactive precursor of microtubule depolymerization inhibitor Paclitaxel. More potent cytotoxic effects against glial and neuroblastoma cell lines than cephalomannine. Shows antitumor effects in vivo.
Storage Temp Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Lipids and lipid-like molecules
Class Prenol lipids
Subclass Diterpenoids
Intermediate Tree Nodes Not available
Direct Parent Taxanes and derivatives
Alternative Parents N-benzylbenzamides  Beta amino acids and derivatives  Benzoic acid esters  Tricarboxylic acids and derivatives  Benzoyl derivatives  Fatty acid esters  Monosaccharides  Tertiary alcohols  Secondary carboxylic acid amides  Secondary alcohols  Carboxylic acid esters  Cyclic alcohols and derivatives  Oxetanes  Ketones  Polyols  Dialkyl ethers  Oxacyclic compounds  Hydrocarbon derivatives  Organopnictogen compounds  Organic oxides  Organonitrogen compounds  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Taxane diterpenoid - N-benzylbenzamide - Beta amino acid or derivatives - Benzoate ester - Benzamide - Benzoic acid or derivatives - Tricarboxylic acid or derivatives - Benzoyl - Fatty acid ester - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Monosaccharide - Cyclic alcohol - Tertiary alcohol - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Ketone - Secondary alcohol - Oxetane - Ether - Dialkyl ether - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Polyol - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as taxanes and derivatives. These are diterpenoids with a structure based either on the taxane skeleton, or a derivative thereof. In term of phytochemistry, several derivatives of the taxane skeleton exist: 2(3->20)-abeotaxane, 3,11-cyclotaxane, 11(15->1),11(10->9)-abeotaxane, 3,8-seco-taxane, and 11(15->1)-abeotaxane, among others. More complex skeletons have been found recently, which include the taxane-derived [3.3.3] propellane ring system.
External Descriptors Not available

Associated Targets(Human)

HEK293 (82097 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KB (17409 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Sus scrofa (849 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MDCK (10148 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
P388 (20296 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

Pubchem Sid 504757408
Pubchem Sid Url https://pubchem.ncbi.nlm.nih.gov/substance/504757408
IUPAC Name [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
INCHI InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
InChIKey TYLVGQKNNUHXIP-MHHARFCSSA-N
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)O)C)O
Isomeric SMILES CC1=C2[C@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)C6=CC=CC=C6)O)O)OC(=O)C7=CC=CC=C7)(CO4)OC(=O)C)O)C)O
Molecular Weight 811.89
Reaxy-Rn 24713367
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24713367&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

6 results found

Lot Number Certificate Type Date Item
E2417088 Certificate of Analysis Feb 20, 2024 D276061
G2228575 Certificate of Analysis May 10, 2023 D276061
G2228576 Certificate of Analysis May 10, 2023 D276061
G2228577 Certificate of Analysis May 10, 2023 D276061
G2228607 Certificate of Analysis May 10, 2023 D276061
G2228578 Certificate of Analysis May 10, 2023 D276061

Chemical and Physical Properties

Solubility ≥ 81.2mg/mL in DMSO
Molecular Weight 811.900 g/mol
XLogP3 1.900
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 13
Rotatable Bond Count 12
Exact Mass 811.32 Da
Monoisotopic Mass 811.32 Da
Topological Polar Surface Area 215.000 Ų
Heavy Atom Count 59
Formal Charge 0
Complexity 1680.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 11
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

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