PM02734
DCTPepD ID DCTPepD0081
Active Ingredients PM02734
Description A synthetic cyclic depsipeptide of the kahalalides family with potential antineoplastic activity. PM02734 is a derivative of a natural marine compound extracted from the sacoglossan sea slug, Elysia rufescens. Although the exact mechanism of action has yet to be elucidated, elisidepsin exhibits anti-proliferative activity in a wide variety of cancer types, such as breast, colon, pancreas, lung, and prostate.
Synonyms Depsipeptide PM02734; Elisidepsin; L-Valine, N-((4S)-4-methyl-1-oxohexyl)-D-valyl-L-threonyl-L-valyl-D-valyl-D-prolyl-L-ornithyl-D-alloisoleucyl-D-allothreonyl-D-alloisoleucyl-D-valyl-L-phenylalanyl-(2Z)-2-amino-2-butenoyl-, (13-8)-lactone, 2,2,2-trifluoroacetate (1:1); PM02734
Disease Solid tumors
Classification
Peptide and derivative Cyclic Marine origin
Structure Information
Molecular Formula C75H124N14O16
Molecular Weight 1477.9
Active Sequence Not available
Sequence Length Not available
Modification Not available
IUPAC Name (2R)-N-[(2S)-5-amino-1-[[(2R,3S)-1-[[(3S,6Z,9S,12R,15R,18R,19R)-9-benzyl-15-[(2S)-butan-2-yl]-6-ethylidene-19-methyl-2,5,8,11,14,17-hexaoxo-3,12-di(propan-2-yl)-1-oxa-4,7,10,13,16-pentazacyclononadec-18-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]-1-[(2R)-2-[[(2S)-2-[[(2S,3R)-3-hydroxy-2-[[(2R)-3-methyl-2-[[(4S)-4-methylhexanoyl]amino]butanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxamide
InChI InChI=1S/C75H124N14O16/c1-20-43(15)33-34-53(91)80-54(38(5)6)68(97)87-61(46(18)90)72(101)82-56(40(9)10)69(98)83-57(41(11)12)74(103)89-36-28-32-52(89)66(95)78-50(31-27-35-76)64(93)85-59(44(16)21-2)71(100)88-62-47(19)105-75(104)58(42(13)14)84-63(92)49(23-4)77-65(94)51(37-48-29-25-24-26-30-48)79-67(96)55(39(7)8)81-70(99)60(45(17)22-3)86-73(62)102/h23-26,29-30,38-47,50-52,54-62,90H,20-22,27-28,31-37,76H2,1-19H3,(H,77,94)(H,78,95)(H,79,96)(H,80,91)(H,81,99)(H,82,101)(H,83,98)(H,84,92)(H,85,93)(H,86,102)(H,87,97)(H,88,100)/b49-23-/t43-,44-,45-,46+,47+,50-,51-,52+,54+,55+,56-,57+,58-,59+,60+,61-,62+/m0/s1
InChI_Key ZNVCPJPCKSJWDH-UCTDCHLSSA-N
SMILES O=C(N[C@H](C(O[C@@H]([C@H](C(N[C@@H](C(N[C@@H](C(N[C@H](C(N/1)=O)CC2=CC=CC=C2)=O)C(C)C)=O)[C@@H](C)CC)=O)NC([C@H](NC([C@H](CCCN)NC([C@@H]3N(CCC3)C([C@H](NC([C@@H](NC([C@@H](NC([C@H](NC(CC[C@@H](C)CC)=O)C(C)C)=O)[C@@H](C)O)=O)C(C)C)=O)C(C)C)=O)=O)=O)[C@@H](C)CC)=O)C)=O)C(C)C)C1=C\C
External Codes
PubChem CID 9855343
DrugBank Accession Number DB05158
NCI Thesaurus Code C66949
UNII 0FWR494EC9 GSRS
CAS 681272-30-0
Drug approval
Drug indication
Investigated for use/treatment in cancer/tumors (unspecified) and solid tumors.
The drug is not approved.
| ClinicalTrials.gov Identifier | Title | Condition or disease | Phase | Purpose |
|---|---|---|---|---|
| NCT00404521 | A Phase I Single-institution, Open-label, Dose-escalating, Clinical and Pharmacokinetic Study of PM02734 Administered Every 3 Weeks, Intravenously, Over 30 Minutes, to Subjects With Advanced Malignant Solid Tumors. | Solid Tumors | Phase 1 | Treatment |
| NCT00884845 | Phase I Multicenter, Open-label, Dose-escalating Clinical and Pharmacokinetic Trial of PM02734 Administered in Combination With Erlotinib in Patients With Advanced Malignant Solid Tumors | Advanced Malignant Solid Tumors | Phase 1 | Treatment |
More clinical information is obtained from ClinicalTrials.gov.
