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Pyropheophorbide-a

CAT: 0013-GTR19173297-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19173297-01Size:5 mg
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Description
Pyropheophorbide-a (Ppa) is a chlorophyll-derived photosensitizer investigated for photodynamic therapy (PDT) of tumors. Its application is studied in both in vitro cellular models and in vivo animal studies for its efficacy in generating cytotoxic reactive oxygen species upon light activation.
CAS Number
24533-72-0
Product Name Alternative
Inhibitor, inhibit, Pyropheophorbide a, Pyropheophorbidea, Pyropheophorbide-a, Ppa
Field of Research
Cell Biology, Immunology & Inflammation, Metabolism Research, Signal Transduction
Purity
95.90% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:1 mg/mL (1.87 mM) ; DMSO:12.5 mg/mL (23.38 mM)
Smiles
CCc1c (C) c2cc3nc (cc4[nH]c (C (CCC (O) =O) [C@@H]4C) c4CC (=O) c5c (C) c (cc1[nH]2) nc45) c (C) c3C=C
Molecular Formula
C33H34N4O3
Molecular Weight
534.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Pyropheophorbide a

Pyropheophorbide a is a pheophorbide. It is a conjugate acid of a pyropheophorbide a anion.

CAS Number24533-72-0
PubChem CID161456
IUPAC Name3-[(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]propanoic acid
Molecular FormulaC33H34N4O3
Molecular Weight534.6
XLogP2.6
Topological Polar Surface Area107
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count40
Formal Charge0
Complexity1660
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)O)C4=N3)O)C)C
InChI
InChI=1S/C33H34N4O3/c1-7-19-15(3)23-12-25-17(5)21(9-10-30(39)40)32(36-25)22-11-29(38)31-18(6)26(37-33(22)31)14-28-20(8-2)16(4)24(35-28)13-27(19)34-23/h7,12-14,17,21,36,38H,1,8-11H2,2-6H3,(H,39,40)/t17-,21-/m0/s1
InChIKey
FDKRLXBXYZKWRZ-UWJYYQICSA-N
Chemical Structure
2D Structure
2D structure of Pyropheophorbide a
CAS: 24533-72-0
CID: 161456
Formula: C33H34N4O3
MW: 534.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.6
XLogP32.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass534.26309096
Monoisotopic Mass534.26309096
Topological Polar Surface Area107 Ų
Heavy Atom Count40
Formal Charge0
Complexity1660
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

Alternative Products

CatalogName
MBS5764734Pyropheophorbide-a
TBZ0767Pyropheophorbide a
BUP21780Methyl pyropheophorbide-a
HY-128973R-01Pyropheophorbide-a (Standard)
A19135-100Pyropheophorbide-a 100mg
A19135-10Pyropheophorbide-a 10mg
A19135-50Pyropheophorbide-a 50mg
A19135-25Pyropheophorbide-a 25mg
A19135-5Pyropheophorbide-a 5mg
A19135-2Pyropheophorbide-a 2mg

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