(4S,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

Base Information Edit

Chemical Name:(4S,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione
CAS No.:189453-10-9
Molecular Formula:C27H41NO5S
Molecular Weight:491.692
Hs Code.:
Mol file:189453-10-9.mol

Synonyms:189453-10-9;BCP06921

Suppliers and Price of (4S,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

Supply Marketing:Edit

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Usbiological
Epothilone D
100ug
$ 496.00

TRC
EpothiloneD(synthetic)
1mg
$ 55.00

Medical Isotopes, Inc.
EpothiloneD(synthetic)
1 mg
$ 2400.00

DC Chemicals
EpothiloneD >98%
100 mg
$ 1900.00

ChemScene
EpothiloneD 99.93%
50mg
$ 1050.00

ChemScene
EpothiloneD 99.93%
100mg
$ 1950.00

ChemScene
EpothiloneD 99.93%
10mg
$ 240.00

ChemScene
EpothiloneD 99.93%
5mg
$ 150.00

ChemScene
EpothiloneD 99.93%
25mg
$ 560.00

Cayman Chemical
Epothilone D ≥99%
10mg
$ 260.00

Total 82 raw suppliers

Chemical Property of (4S,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione Edit

Chemical Property:

Vapor Pressure:1.62E-18mmHg at 25°C
Melting Point:63-66°C
Refractive Index:1.522
Boiling Point:663.658 °C at 760 mmHg
PKA:13.47±0.70(Predicted)
Flash Point:355.168 °C
PSA：124.96000
Density:1.085 g/cm³
LogP:4.87620
Storage Temp.:-20°C Freezer
Solubility.:Soluble in DMSO
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:491.27054458
Heavy Atom Count:34
Complexity:777

Purity/Quality:

99% ^*data from raw suppliers

Epothilone D ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)C
Isomeric SMILES:C[C@H]1CCC/C(=C\C[C@H](OC(=O)C[C@@H](C(C(=O)C([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)C)/C)/C
Description Epothilones are microtubule-stabilizing agents with potential anti-neoplastic actions. They are natural macrolides that have high potency in both taxane-sensitive and taxane-resistant models. Epothilone D is a desoxy form of epothilone B (Item No. 10924) that inhibits the growth of a variety of cancer cells both in vitro (IC50 values range from 0.97 to 21 nM) and in mice. Epothilone D is brain penetrant and reduces neurodegeneration in aged tau transgenic mice. Effects include improved axonal transport, decreased tau neuropathology, and reduced hippocampal neuron loss. Epothilone D also rescues microtubule defects and attenuates nigrostriatal degeneration in a mouse model of Parkinson’s disease.
Uses Epothilones are polyketide natural products that inhibit cancer cells by a mechanism similar to paclitaxel, and also are effective against paclitaxel-resistant tumours. Epothilone D is in phase I clinical testing of in patients with advanced solid tumours. Epothilone D is a cytotoxic macrolide that stabilises malignant cells' microtubules and arrests mitosis, a characteristic it shares with other epothilones. They bind to the same hepatic sites as does paclitaxel (Taxol) in a 1:1 stoichiometric ratio of a, b-tubulin heterodimers. Epothilones are polyketide natural products that inhibit cancer cells by a mechanism similar to paclitaxel, and also are effective against paclitaxel-resistant tumours. Epothilone D is in phase I clinical testing of in patients with advanced solid tumours. Epothilone D is a cytotoxic macrolide that stabilises malignant cells'' microtubules and arrests mitosis, a characteristic it shares with other epothilones. They bind to the same hepatic sites as does paclitaxel (Taxol) in a 1:1 stoichiometric ratio of a, b-tubulin heterodimers.

Technology Process of (4S,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione

There total 342 articles about (4S,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-1-oxacyclohexadec-13-ene-2,6-dione which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%