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Methyl pyropheophorbide-a

CAT: 0013-GTR19244121-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19244121-02Size:500 mg
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Description
Methyl pyropheophorbide-a (Pyropheophorbide-a methyl ester), a chlorophyll-a derivative, is a potent photosensitizer that can be used in photodynamic therapy (PDT) of cancer. Methyl pyropheophorbide-a has photodynamic activity and can induce apoptosis and inhibit tumor growth.
CAS Number
6453-67-4
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 2.5 mg/mL (4.56 mM; Ultrasonic (<60°C)
Smiles
CCc1c (C) c2cc3[nH]c (cc4nc ([C@@H] (CCC (=O) OC) [C@@H]4C) c4CC (=O) c5c (C) c (cc1n2) [nH]c45) c (C) c3C=C
Molecular Formula
C34H36N4O3
Molecular Weight
548.67
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Methyl pyropheophorbide-a
CAS Number6453-67-4
PubChem CID135406598
IUPAC Namemethyl 3-[(21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-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]propanoate
Molecular FormulaC34H36N4O3
Molecular Weight548.7
XLogP3
Topological Polar Surface Area95.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count41
Formal Charge0
Complexity1680
SMILES
CCC1=C(C2=NC1=CC3=C(C4=C(CC(=C5[C@H]([C@@H](C(=CC6=NC(=C2)C(=C6C)C=C)N5)C)CCC(=O)OC)C4=N3)O)C)C
InChI
InChI=1S/C34H36N4O3/c1-8-20-16(3)24-13-26-18(5)22(10-11-31(40)41-7)33(37-26)23-12-30(39)32-19(6)27(38-34(23)32)15-29-21(9-2)17(4)25(36-29)14-28(20)35-24/h8,13-15,18,22,37,39H,1,9-12H2,2-7H3/t18-,22-/m0/s1
InChIKey
KWOKGUTUPNUAGP-AVRDEDQJSA-N
Chemical Structure
2D Structure
2D structure of Methyl pyropheophorbide-a
CAS: 6453-67-4
CID: 135406598
Formula: C34H36N4O3
MW: 548.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.7
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass548.27874102
Monoisotopic Mass548.27874102
Topological Polar Surface Area95.6 Ų
Heavy Atom Count41
Formal Charge0
Complexity1680
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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T33492Methyl pyropheophorbide-a
sc-264179Pyropheophorbide-a methyl ester
TRC-P998865-100MGPyropheophorbide A Methyl Ester
500101MPPa (Methyl pyropheophorbide-a)
HY-137473RMethyl pyropheophorbide-a (Standard)
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TBZ0767Pyropheophorbide a

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