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Chemical structure of Pyropheophorbide a methyl ester

GC49860

Pyropheophorbide a methyl ester

Also known as methyl 4-(16-ethenyl-11-ethyl-4-hydroxy-12,17,21-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)butanoate

Pyropheophorbide a methyl ester (Pyropheophorbide-a methyl ester), a chlorophyll-a derivative, is a potent photosensitizer that can be used in photodynamic therapy (PDT) of cancer· Pyropheophorbide a methyl ester has photodynamic activity and can induce apoptosis and inhibit tumor growth

ChemicalCAS6453-67-4MW548.7FormulaC34H36N4O3
CAS number
6453-67-4
Molecular weight
548.7
Formula
C34H36N4O3
Solubility
Chloroform： slightly soluble,Methanol： slightly soluble when heated
InChIKey
YMBZVJAREAJWOI-UHFFFAOYSA-N
Catalogue number
GC49860
Brand
GLPBIO
Computed properties PubChem CID 138750 · XLogP 3.4 · TPSA 95.6 Ų · H-bond donors 2
XLogP
3.4
TPSA
95.6 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
7
Heavy atoms
41

SMILES CCC1=C(C2=NC1=CC3=CC4=C(CC(=C5C(C(C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCCC(=O)OC)C4=N3)O)C

Computed descriptors from PubChem (CID 138750), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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