Protoporphyrin IX Dimethyl Ester - CAS 5522-66-7
Catalog: |
BB028955 |
Product Name: |
Protoporphyrin IX Dimethyl Ester |
CAS: |
5522-66-7 |
Synonyms: |
3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid methyl ester; methyl 3-[7,12-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,8,13,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate |
IUPAC Name: | methyl 3-[8,13-bis(ethenyl)-18-(3-methoxy-3-oxopropyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate |
Description: | Protoporphyrin IX Dimethyl Ester (CAS# 5522-66-7) is a derivative of Protoporphyrin IX (P839138), which is an important precursor to biologically essential prosthetic groups such as heme, cytochrome c, and chlorophylls. |
Molecular Weight: | 590.71 |
Molecular Formula: | C36H38N4O4 |
Canonical SMILES: | CC1=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=C)C)C=C |
InChI: | InChI=1S/C36H38N4O4/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/h9-10,15-18,37-38H,1-2,11-14H2,3-8H3 |
InChI Key: | LQBPATQBTSBIIH-UHFFFAOYSA-N |
Boiling Point: | 1025 ℃ at 760 mmHg |
Density: | 1.196 g/cm3 |
Appearance: | Dark red to brown solid |
LogP: | 4.21740 |
Publication Number | Title | Priority Date |
CN-111825685-A | Novel hematoporphyrin monofluoroalkyl diether and fluorophenylalkyl diether derivatives and application thereof in medical field | 20200727 |
US-2021324169-A1 | Engineering a porous conductive pedot:pss-dvs scaffold for microbial fuel cell air cathodes | 20200403 |
US-2021130745-A1 | Detergent composition | 20191031 |
EP-3816271-A1 | Detergent composition | 20191031 |
US-2021139879-A1 | Consumer Product Compositions Comprising P450 Fatty Acid Decarboxylases | 20191031 |
PMID | Publication Date | Title | Journal |
22775002 | 20120816 | Comparison of binding ability and location of two mesoporphyrin derivatives in liposomes explored with conventional and site-selective fluorescence spectroscopy | The journal of physical chemistry. B |
19411193 | 20090901 | Direct electrochemistry and spectroelectrochemistry of osmium substituted horseradish peroxidase | Bioelectrochemistry (Amsterdam, Netherlands) |
17499362 | 20070701 | The contribution of heme propionate groups to the conformational dynamics associated with CO photodissociation from horse heart myoglobin | Journal of inorganic biochemistry |
16964396 | 20061001 | A study comparing endogenous protoporphyrin IX induced by 5-ALA and ALA-methyl ester with exogenous PpIX and PpIX dimethyl ester in photodynamic diagnosis of human nasopharyngeal carcinoma xenografts | International journal of oncology |
16080780 | 20051101 | Systemic suppression of the contact hypersensitivity by the products of protoporphyrin IX photooxidation | Photochemistry and photobiology |
Complexity: | 1040 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 590.28930571 |
Formal Charge: | 0 |
Heavy Atom Count: | 44 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 590.28930571 |
Rotatable Bond Count: | 10 |
Topological Polar Surface Area: | 110 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.3 |
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