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M-THPP

CAT: 0804-HY-W075248-03Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W075248-03Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
M-THPP (Tetra (3-hydroxyphenyl) porphyrin; 3-THPP) is a photosensitizer. m-THPP can weakly induce ROS production and shows antitumor and antibacterial activity. m-THPP can be used for the research of photodynamic therapy (PDT) [1].
CAS Number
22112-79-4
Product Name Alternative
Tetra (3-hydroxyphenyl) porphyrin; 3-THPP
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Bacterial; Photosensitizer
Related Pathways
Anti-infection; Apoptosis
Field of Research
Cancer; Infection
Purity
98.0
Smiles
OC1=CC=CC(/C2=C3C=CC(/C(C4=CC(O)=CC=C4)=C5C=C/C(N/5)=C(C(C=C/6)=NC6=C(C7=CC=C2N7)\C8=CC(O)=CC=C8)\C9=CC(O)=CC=C9)=N\3)=C1
Molecular Formula
C44H30N4O4
Molecular Weight
678.73
Precautions
H302, H315, H319, H335
References & Citations
[1]Tsolekile N, et al. Photodynamic therapy and antibacterial activities of a novel synthesized quaternary Zn-Cu-In-S/ZnS QDs-mTHPP porphyrin conjugate[J]. International Journal of Nanomedicine, 2022, 17: 5315.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, stored under nitrogen)
Scientific Category
Reference compound2
Clinical Information
No Development Reported

Chemical Information

Tetra(3-hydroxyphenyl)porphyrin
CAS Number22112-79-4
PubChem CID135462976
IUPAC Name3-[10,15,20-tris(3-hydroxyphenyl)-21,23-dihydroporphyrin-5-yl]phenol
Molecular FormulaC44H30N4O4
Molecular Weight678.7
XLogP9
Topological Polar Surface Area138
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count52
Formal Charge0
Complexity1010
SMILES
C1=CC(=CC(=C1)O)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C=C4)C9=CC(=CC=C9)O)N3
InChI
InChI=1S/C44H30N4O4/c49-29-9-1-5-25(21-29)41-33-13-15-35(45-33)42(26-6-2-10-30(50)22-26)37-17-19-39(47-37)44(28-8-4-12-32(52)24-28)40-20-18-38(48-40)43(36-16-14-34(41)46-36)27-7-3-11-31(51)23-27/h1-24,45,48-52H
InChIKey
ZUELZXZJXUXJCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tetra(3-hydroxyphenyl)porphyrin
CAS: 22112-79-4
CID: 135462976
Formula: C44H30N4O4
MW: 678.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight678.7
XLogP39
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass678.22670545
Monoisotopic Mass678.22670545
Topological Polar Surface Area138 Ų
Heavy Atom Count52
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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