Protoporphyrin IX Dimethyl Ester - CAS 5522-66-7

Name: Protoporphyrin IX Dimethyl Ester
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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 °C 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