3-[(1Z,5Z,9Z,14Z)-18-(2-Carboxy-ethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acid
Basic information
- CAS
14354-67-7- Standard SMILES
CCc1c(C)c2cc3[nH]c(cc4nc(cc5nc(cc1[nH]2)C(C)=C5CCC(=O)O)C(CCC(=O)O)=C4C)c(C)c3CC.[Zn+2]- InChIKey
QNPWRWGBDHNFRK-UHFFFAOYSA-N- Molecular formula
- C34H38N4O4Zn+2
- Average molar mass
- 632.1 g/mol
- Monoisotopic mass
- 630.218447
Names & identifiers
- Preferred name
- 3-[(1Z,5Z,9Z,14Z)-18-(2-Carboxy-ethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acid
- IUPAC
- zinc 3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoic acid
- English name
- zinc mesoporphyrin
- Molecular formula
- C34H35N4O4Zn-
- Molecular weight
- 629.06
Names & synonyms
14354-67-73-[(1Z,5Z,9Z,14Z)-18-(2-Carboxy-ethyl)-8,13-diethyl-3,7,12,17-tetramethyl-22,24-dihydro-porphin-2-yl]-propionic acidzinc 3-[(5Z,10Z,14Z,19Z)-18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17-tetramethyl-21,23-dihydroporphyrin-2-yl]propanoic acidzinc mesoporphyrinzinc mesoporphyrin dimethyl ester
Database identifiers
- CAS
14354-67-7- PubChem CID
- 498052
Properties
Computed structural properties
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 43
- Formal charge
- 2
- Complexity
- 949
Physicochemical properties
- form
- Solid
- color
- Brown to reddish brown
- FDA UNII
- 99 LY10G7K9 · 99LY10G7K9
Chemistry & industry
Applications
UsesZn(II) Mesoporphyrin IX (ZnMP) is a specific activator of ABCB10, significantly increasing its ATPase activity and acting as a substrate for ABCB10 in heme synthesis. Zn(II) Mesoporphyrin IX may promote the transcription of hemoglobinization genes by facilitating the degradation of the Bach1 repressor. Zn(II) Mesoporphyrin IX aids in studying the potential roles of ABCB10 in heme synthesis, oxidative stress protection, hepatitis C, and other areas[1][2].
Related reactions
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Compound notes
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