Plitidepsin | CAS No. 137219-37-5

Plitidepsin

Basic Information

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CAS Number

137219-37-5

Molecular Formula

C57H87N7O15

Molecular Weight

1110.36 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

152-160°

Specific Rotation

D -95.9° (c = 1.8 in CHCl3)

SMILES

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CCC(C)C1C(CC(=O)OC(C(=O)C(C(=O)NC(C(=O)N2CCCC2C(=O)N(C(C(=O)OC(C(C(=O)N1)NC(=O)C(CC(C)C)N(C)C(=O)C3CCCN3C(=O)C(=O)C)C)CC4=CC=C(C=C4)OC)C)CC(C)C)C)C(C)C)O

InChI

InChI=1S/C57H87N7O15/c1-15-33(8)46-44(66)29-45(67)79-49(32(6)7)48(68)34(9)50(69)58-39(26-30(2)3)54(73)64-25-17-19-41(64)56(75)62(13)43(28-37-20-22-38(77-14)23-21-37)57(76)78-36(11)47(52(71)59-46)60-51(70)42(27-31(4)5)61(12)55(74)40-18-16-24-63(40)53(72)35(10)65/h20-23,30-34,36,39-44,46-47,49,66H,15-19,24-29H2,1-14H3,(H,58,69)(H,59,71)(H,60,70)/t33-,34-,36+,39-,40-,41-,42+,43-,44-,46+,47-,49-/m0/s1

InChIKey

UUSZLLQJYRSZIS-LXNNNBEUSA-N

LogP

2.5247000000000104

Topological Polar Surface Area

284.74 Å²

Hydrogen Bond Donor/Acceptor

4 / 22

Complexity

2200

Synonyms & References

English

AKOS030230703
Dehydrodidemnin B
Y-100032
1-(2-oxopropanoyl)-L-prolyl-N-[(3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-[(2S)-butan-2-yl]-11-hydroxy-3-(4-methoxybenzyl)-2,6,17-trimethyl-20-(2-methylpropyl)-1,4,8,13,16,18,21-heptaoxo-15-(propan-2-yl)docosahydro-15H-pyrrolo[2,1-f][1,15,4,7,10,20]dioxatetraazacyclotricosin-7-yl]-N(2)-methyl-D-leucinamide
(S)-N-((R)-1-(((3S,6R,7S,10R,11S,15S,17S,20S,25aS)-10-((S)-sec-butyl)-11-hydroxy-20-isobutyl-15-isopropyl-3-(4-methoxybenzyl)-2,6,17-trimethyl-1,4,8,13,16,18,21-heptaoxodocosahydro-15H-pyrrolo[2,1-f][1,15]dioxa[4,7,10,20]tetraazacyclotricosin-7-yl)amino)-4-methyl-1-oxopentan-2-yl)-N-methyl-1-(2-oxopropanoyl)pyrrolidine-2-carboxamide
D11032
137219-37-5
Plitidepsin (INN)
EX-A7405
plitidepsina
CS-0006129
L-Tyrosine, 1-(1,2-dioxopropyl)-L-prolyl-N-methyl-D-leucyl-L-threonyl-(3S,4R,5S)-4-amino-3-hydroxy-5-methylheptanoyl-(2S,4S)-4-hydroxy-2,5-dimethyl-3-oxohexanoyl-L-leucyl-L-prolyl-N,O-dimethyl-, (8-3)-lactone
3,6-ANHYDRO(N-((2S,4S)-4-((3S,4R,5S)-3-HYDROXY-4-((N-(2-OXOPROPANOYL)-L-PROLYL-N-METHYL-D-LEUCYL-L-THREONYL)AMINO)-5-METHYLHEPTANOYLOXY)-2,5-DIMETHYL-3-OXOHEXANOYL)-L-LEUCYL-L-PROLYL-N,O-DIMETHYL-L-TYROSINE)
2-9-Didemnin B, 2-(1-(1,2-dioxopropyl)-L-proline)-
(2S)-N-[(2R)-1-[[(3S,6S,8S,12S,13R,16S,17R,20S,23S)-13-[(2S)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl)methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methyl-1-(2-oxopropanoyl)pyrrolidine-2-carboxamide
PLITIDEPSIN [INN]
Y76ID234HW
plitidepsin
Aplidine
SCHEMBL13413427
GTPL11396
plitidepsium
Q4779975
APLIDINE [MI]
(2s)-N-[(2r)-1-[[(3s,6s,8s,12s,13r,16s,17r,20s,23s)-13-[(2s)-butan-2-yl]-12-hydroxy-20-[(4-methoxyphenyl) methyl]-6,17,21-trimethyl-3-(2-methylpropyl)-2,5,7,10,15,19,22-heptaoxo-8-propan-2-yl-9,18-dioxa-1,4,14,21-tetrazabicyclo[21.3.0]hexacosan-16-yl]amino]-4-methyl-1-oxopentan-2-yl]-N-methyl-1-(2-oxopropanoyl)pyrrolidine-2-carboxamide
PLITIDEPSIN [MI]
PLITIDEPSIN [MART.]
AT23636
HY-16050
plitidepsine
Plitidepsin [INN:BAN]

MDL Number

MFCD00947315

FAQ

What is Plitidepsin (CAS: 137219-37-5)?

Plitidepsin is a naturally derived antitumor compound with a unique mechanism of action. It contains 17 amino acids and has immunomodulatory properties. It is used in anticancer therapy and research due to its ability to selectively induce apoptosis in cancer cells while sparing normal cells.

What are the main uses of Plitidepsin (CAS: 137219-37-5)?

Plitidepsin is primarily used in the treatment of hematological malignancies and solid tumors. It is also used in preclinical and clinical research to study its antitumor effects and potential therapeutic applications.

Is Plitidepsin (CAS: 137219-37-5) safe?

Plitidepsin is generally considered safe when used under the supervision of a healthcare professional. However, it may cause side effects such as fatigue, nausea, and fever. It is important to follow medical guidelines and take necessary precautions to minimize risks.

How should Plitidepsin (CAS: 137219-37-5) be stored?

Plitidepsin should be stored in a tightly sealed container at 2-8°C (36-46°F) in a refrigerator. It should be protected from light and kept in a dry place. Avoid freezing and do not use if the container has been opened or the seal is damaged.