Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate - CAS 632-93-9
Catalog: |
BB032090 |
Product Name: |
Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate |
CAS: |
632-93-9 |
Synonyms: |
diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
IUPAC Name: | diethyl 2,4,6-trimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
Description: | Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate (DDC) inhibits heme production by inhibiting ferrochelatase, the enzyme that catalyzes the addition of Fe2+ to protoporphyrin IX to create heme B. |
Molecular Weight: | 267.32 |
Molecular Formula: | C14H21NO4 |
Canonical SMILES: | CCOC(=O)C1=C(NC(=C(C1C)C(=O)OCC)C)C |
InChI: | InChI=1S/C14H21NO4/c1-6-18-13(16)11-8(3)12(14(17)19-7-2)10(5)15-9(11)4/h8,15H,6-7H2,1-5H3 |
InChI Key: | CDVAIHNNWWJFJW-UHFFFAOYSA-N |
Boiling Point: | 335 °C at 760 mmHg |
Purity: | ≥ 98 % |
Density: | 1.12 g/cm3 |
Appearance: | Crystalline solid |
MDL: | MFCD00005950 |
LogP: | 2.22870 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
32612008 | 20200101 | The effect of dihydropyrazines on lipopolysaccharide-stimulated human hepatoma HepG2 cells via regulating the TLR4-MyD88-mediated NF-κB signaling pathway | The Journal of toxicological sciences |
31102694 | 20190701 | Inhibition of biliary network reconstruction by benzbromarone delays recovery from pre-existing liver injury | Toxicology |
30825315 | 20190601 | Nrf2 Ameliorates DDC-Induced Sclerosing Cholangitis and Biliary Fibrosis and Improves the Regenerative Capacity of the Liver | Toxicological sciences : an official journal of the Society of Toxicology |
30215777 | 20190101 | Nrf2 Activation Ameliorates Hepatotoxicity Induced by a Heme Synthesis Inhibitor | Toxicological sciences : an official journal of the Society of Toxicology |
27052460 | 20170101 | Upregulation of hydroxysteroid sulfotransferase 2B1b promotes hepatic oval cell proliferation by modulating oxysterol-induced LXR activation in a mouse model of liver injury | Archives of toxicology |
Complexity: | 408 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.14705815 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.14705815 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 64.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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Pyridines
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