Epothilone A | CAS No. 152044-53-6

Epothilone A

Basic Information

View in Editor

CAS Number

152044-53-6

Molecular Formula

C26H39NO6S

Molecular Weight

493.67 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

95 ºC

Boiling Point

683.3°C at 760 mmHg

Flash Point

367.1°C

Refractive Index

1.531

Specific Rotation

D21 -47.1° (c = 1.0 in methanol)

SMILES

View in Editor

CC1CCCC2C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)C)C

InChI

InChI=1S/C26H39NO6S/c1-14-8-7-9-19-21(32-19)11-20(15(2)10-18-13-34-17(4)27-18)33-23(29)12-22(28)26(5,6)25(31)16(3)24(14)30/h10,13-14,16,19-22,24,28,30H,7-9,11-12H2,1-6H3/b15-10+/t14-,16+,19+,20-,21-,22-,24-/m0/s1

InChIKey

HESCAJZNRMSMJG-KKQRBIROSA-N

LogP

4.087420000000003

Topological Polar Surface Area

109.25 Å²

Hydrogen Bond Donor/Acceptor

2 / 7

Complexity

770

Synonyms & References

English

Epo A
Epothilon A
Epothilone A [MI]
4,17-Dioxabicyclo(14.1.0)heptadecane-5,9-dione, 7,11-dihydroxy-8,8,10,12-tetramethyl-3-((1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl)-, (1S,3S,7S,10R,11S,12S,16R)-
HESCAJZNRMSMJG-KKQRBIROSA-N
AC-22615
DTXSID10332288
(1R,5S,6S,7R,10S,14S,16S)-6,10-dihydroxy-5,7,9, 9-tetramethyl-14-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-13, 17-dioxabicyclo[14.1.0]heptadecane-8,12-dione
EPOTHILONE A [WHO-DD]
(-)-Epothilone A
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
152044-53-6
BRD-K71823332-001-01-1
(-)-Epothilone A, from Sorangium cellulosum, >95% (HPLC), solid
J-008878
EX-A2056
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
HY-13503
CS-0007126
Epothilone-A
epothile
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
EpothiloneA
AKOS025401597
51E07YBX96
Epothilone A
CCG-269643
E78311
(1S,7S,10R,11S,12S,16R)-7-Hydroxy-11-(S)-hydroxy-8,8,10,12-tetramethyl-3-[(E)-1-methyl-2-(2-methyl-thiazol-4-yl)-vinyl]-4,17-dioxa-bicyclo[14.1.0]heptadecane-5,9-dione
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-((E)-1-(2-methylthiazol-4-yl)prop-1-en-2-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
(1S,3S,7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12-tetramethyl-3-[(1E)-1-methyl-2-(2-methyl-4-thiazolyl)ethenyl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

MDL Number

MFCD09970958

FAQ

What regulatory guidelines apply to Epothilone A (CAS: 152044-53-6)?

Epothilone A (CAS: 152044-53-6) is regulated under various guidelines such as the GHS for chemical classification and labeling, REACH regulations for the registration, evaluation, authorization, and restriction of chemicals in the European Union, and FDA and EPA requirements for safety and environmental protection in the United States. Compliance with these regulations is essential for producers and handlers of Epothilone A.

Are there alternatives to Epothilone A in synthesis?

Yes, there are alternatives to Epothilone A in synthesis. Other epothilone analogs, such as Epothilone B and Epothilone D, can be used as alternatives. Additionally, common alternative reagents like N-bromosuccinimide (NBS) and peroxyacetic acid can be employed in the synthesis of related compounds.

What is the market or research trend for Epothilone A (CAS: 152044-53-6)?

Epothilone A (CAS: 152044-53-6) is gaining interest in cancer research due to its antimitotic properties. Market trends indicate increasing demand for its application in drug development. Research is focusing on its therapeutic potential and improving synthesis methods. The trend suggests a growing focus on its use as a potential anticancer agent.

How should waste containing Epothilone A (CAS: 152044-53-6) be handled?

Waste containing Epothilone A (CAS: 152044-53-6) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration or chemical treatment may be necessary to ensure complete degradation. Environmental protection measures include monitoring for potential contamination and adhering to local and international waste disposal regulations to prevent harm to the environment.