Mesoporphyrin ix dimethyl ester

Catalog Number	ACM1263634
CAS	1263-63-4
Structure
Description	Mesoporphyrin ix dimethyl ester (MPDE) is a type of porphyrin, a naturally occurring pigment. It is a derivative of mesoporphyrin ix, a naturally occurring porphyrin found in the human body and in some plants. Porphyrins are involved in a variety of biological processes, including photosynthesis, respiration, and metabolism. MPDE has been studied extensively in scientific research, and has been found to have a variety of applications.
Synonyms	Dimethyl 7,12-diethyl-3,8,13,17-tetramethyl-21H,23H-porphine-2,18-dipropionate
IUPAC Name	methyl 3-[8,13-diethyl-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate
Molecular Weight	594.7 g/mol
Molecular Formula	C36H42N4O4
Canonical SMILES	CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C)CC)C
InChI	InChI=1S/C36H42N4O4/c1-9-23-19(3)27-15-28-21(5)25(11-13-35(41)43-7)33(39-28)18-34-26(12-14-36(42)44-8)22(6)30(40-34)17-32-24(10-2)20(4)29(38-32)16-31(23)37-27/h15-18,37-38H,9-14H2,1-8H3
InChI Key	CQKDGYMHYLBWTQ-UHFFFAOYSA-N
Melting Point	214-215 °C-lit
Purity	98%
Appearance	Solid
Application	Mesoporphyrin ix dimethyl ester has a variety of scientific research applications. It has been used as a photosensitizer for photodynamic therapy, which is a type of cancer treatment. It has also been used as an antioxidant in food preservation, and as a fluorescent dye for the detection of proteins. Additionally, Mesoporphyrin ix dimethyl ester has been used as a fluorescent probe for the detection of reactive oxygen species, and as a fluorescent marker for the detection of viruses.
Storage	-20°C
Complexity	980
Covalently-Bonded Unit Count	1
EC Number	215-030-1
Exact Mass	594.321g/mol
Heavy Atom Count	44
Isomeric SMILES	CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C)CC)C
Monoisotopic Mass	594.321g/mol
Properties	Mesoporphyrin ix dimethyl ester has a variety of biochemical and physiological effects. When used in photodynamic therapy, Mesoporphyrin ix dimethyl ester produces reactive oxygen species, which are toxic to cancer cells. Additionally, Mesoporphyrin ix dimethyl ester acts as an antioxidant, which helps to preserve food by preventing oxidation. Furthermore, Mesoporphyrin ix dimethyl ester acts as a fluorescent dye, which allows for the detection of proteins, viruses, and reactive oxygen species.
Rotatable Bond Count	10
Topological Polar Surface Area	110A^2