Omacetaxine Mepesuccinate
1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
Molecular Identity
Omacetaxine Mepesuccinate
1-O-[(2S,3S,6R)-4-methoxy-16,18-dioxa-10-azapentacyclo[11.7.0.02,6.06,10.015,19]icosa-1(20),4,13,15(19)-tetraen-3-yl] 4-O-methyl (2R)-2-hydroxy-2-(4-hydroxy-4-methylpentyl)butanedioate
PubChem CID: 285033
Omacetaxine mepesuccinate is a cephalotaxine-derived alkaloid ester obtained from Cephalotaxus harringtonia; used for the treatment of chronic or accelerated phase chronic myeloid leukaemia. It has a role as an anticoronaviral agent, an antineoplastic agent, a protein synthesis inhibitor and an apoptosis inducer. It is a tertiary alcohol, an organic heteropentacyclic compound, an alkaloid ester and an enol ether. It is functionally related to a cephalotaxine.
2D Structure
Properties
C29H39NO9
Molecular Formula
545.60
Molecular Weight
g/mol
545.2625
Exact Mass
Da
0.8
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
10
H-Bond Acceptors
968
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(CCCC(CC(=O)OC)(C(=O)OC1C2C3=CC4=C(C=C3CCN5C2(CCC5)C=C1OC)OCO4)O)OIsomeric SMILES
SMILES: CC(C)(CCC[C@@](CC(=O)OC)(C(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CCN5[C@@]2(CCC5)C=C1OC)OCO4)O)OSynonyms(20)
Omacetaxine mepesuccinateCeflatoninMyelostatSynriboCGX-635OmaproHomoharringtonin(-)-homoharringtonineNSC-141633mepesuccinate d'omacetaxinemepesuccinato de omacetaxinaCHEBI:71019(2'R,3S,4S,5R)-(-)-homoharringtonineomacetaxini mepesuccinas6FG8041S5B
Data from PubChem (NCBI)
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Trials and conditions connected to Omacetaxine Mepesuccinate
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