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Epothilone D

Epothilone D structure

CAS No:
189453-10-9
Formula:
C27H41NO5S
Chemical Name:
Epothilone D
Synonyms:
Oxacyclohexadec-13-ene-2,6-dione,4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-,(4S,7R,8S,9S,13Z,16S)-;Oxacyclohexadec-13-ene-2,6-dione,4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-,[4S-[4R*,7S*,8R*,9R*,13Z,16R*(E)]]-;(4S,7R,8S,9S,13Z,16S)-4,8-Dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]oxacyclohexadec-13-ene-2,6-dione;Desoxyepothilone B;Epothilone D;(-)-Desoxyepothilone B;NSC 703147;12,13-Deoxyepothilone B;12,13-Desoxyepothilone B;(-)-Epothilone D;KOS 862;Epo D
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

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Description

Epothilone D is a potent microtubule stabilizer.

Epothilone D Basic Attributes

Molecular Weight：

491.68

Exact Mass：

491.68

Characteristics

PSA：

124.96000

XLogP3：

3.69

Density：

1.1±0.1 g/cm3

Melting Point：

63-66°C

Boiling Point：

657.7±55.0 °C at 760 mmHg

Flash Point：

351.6±31.5 °C

Refractive Index：

1.526

Storage Conditions：

-20°C Freezer

Specific rotation：

D22 -61.3° (c = 2.5 in methanol)

Epothilone D Use and Manufacturing

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 ofin 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.

Computed Properties

Molecular Weight:491.7
XLogP3:5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:491.27054458
Monoisotopic Mass:491.27054458
Topological Polar Surface Area:125
Heavy Atom Count:34
Complexity:777
Defined Atom Stereocenter Count:5
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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