Epothilone D | CAS No. 189453-10-9

Epothilone D

Basic Information

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CAS Number

189453-10-9

Molecular Formula

C27H41NO5S

Molecular Weight

491.68 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

63-66°C

Specific Rotation

D22 -61.3° (c = 2.5 in methanol)

SMILES

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CC1CCCC(=CCC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)C)C)C

InChI

InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1

InChIKey

XOZIUKBZLSUILX-GIQCAXHBSA-N

LogP

5.266320000000006

Topological Polar Surface Area

96.72000000000001 Å²

Hydrogen Bond Donor/Acceptor

2 / 6

Complexity

777

Synonyms & References

English

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)-
NSC 703147
DTXSID70880053
(4S,7R,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
T0358E0YUF
NSC-703147
NSC703147
Oxacyclohexadec-13-ene-2,6-dione, 4,6-dihydroxy-5,5,7,9,13-pentamethyl-16-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (4S,7R,8S,9S,13Z,16S)-
(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]oxacyclohexadec-13-ene-2,6-dione
Epo D
Epothilone B, desoxy
EPOTHILONE D [WHO-DD]
12,13-desoxyepothilone b, cis
A880448
(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methylthiazol-4-yl)vinyl]-1-oxacyclohexadec-13-ene-2,6-dione
NSC-721085
(4S,7R,8S,9S,16S,Z)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)oxacyclohexadec-13-ene-2,6-dione
HY-15278
DB01873
(-)-Epothilone D
UNII-T0358E0YUF
(-)-Desoxyepothilone B
12,13-Desoxy-Epothilone B
EX-A495
NSC721085
Epothilone D
R1492
Biologically synthesized Epothilone D
CHEMBL96172
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)))-
KOS-862

MDL Number

MFCD27976357

FAQ

What is Epothilone D (CAS: 189453-10-9)?

Epothilone D is a potent antimitotic agent with a unique mechanism of action. It is a secondary metabolite produced by Streptomyces cellulosus. Epothilone D exhibits anticancer properties by stabilizing microtubules, inhibiting cell division, and inducing apoptosis in tumor cells.

What are the main uses of Epothilone D (CAS: 189453-10-9)?

Epothilone D is primarily used in the treatment of various cancers, including ovarian cancer and non-small cell lung cancer. It is also used in clinical research to study its antitumor properties and explore potential applications in other cancer types.

Is Epothilone D (CAS: 189453-10-9) safe?

Epothilone D can be toxic and may cause adverse effects such as myelosuppression, peripheral neuropathy, and gastrointestinal symptoms. Proper handling and storage under controlled conditions are crucial to ensure safety. Protective measures include using appropriate personal protective equipment and following laboratory safety guidelines.

How should Epothilone D (CAS: 189453-10-9) be stored?

Epothilone D should be stored at a temperature between 2°C and 8°C in a tightly sealed container, protected from light. It should be kept in a cool, dry place away from heat and direct sunlight. The container should be airtight and made of appropriate material to prevent degradation. Handle with care to avoid spills and ensure proper disposal according to local regulations.