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

Structure

 

Show IUPAC/InChI/SMILES

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.





DCTPep is developed by Dr.Zheng's team.