4,5-Dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic Acid - CAS 72909-34-3
Catalog: |
BB034721 |
Product Name: |
4,5-Dioxo-4,5-dihydro-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic Acid |
CAS: |
72909-34-3 |
Synonyms: |
4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid; 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid |
Application: |
Ingredient of health care products. |
IUPAC Name: | 4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-2,7,9-tricarboxylic acid |
Description: | A cofactor of microbial quinoprotein enzyme, and imidazopyrroline. A redox/cofactor found in a class of enzymes called quinoproteins. Nutritional supplement in health care products. |
Molecular Weight: | 330.21 |
Molecular Formula: | C14H6N2O8 |
Canonical SMILES: | C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)O)C(=O)O |
InChI: | InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24) |
InChI Key: | MMXZSJMASHPLLR-UHFFFAOYSA-N |
Boiling Point: | 1018.6 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.963 g/cm3 |
Solubility: | 211.8 mg/L at 25 °C (est) |
Appearance: | Orange-red solid |
MDL: | MFCD00043125 |
LogP: | 0.55030 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113481138-A | Engineering strain, preparation method thereof and method for producing glycollic acid by efficiently utilizing ethylene glycol | 20210726 |
CN-113424950-A | Areca-nut brine added with pyrroloquinoline quinone, and preparation method and application thereof | 20210709 |
CN-113288997-A | Composition with weight-losing and blood-sugar-reducing effects, preparation and application thereof | 20210623 |
CN-113186157-A | Application of mesenchymal stem cells in preparation of medicine for treating overactive bladder syndrome | 20210608 |
CN-113337432-A | Methylophagus for producing pyrroloquinoline quinone and application thereof | 20210604 |
PMID | Publication Date | Title | Journal |
32068067 | 20200501 | Neurotoxicity and apoptosis induced by pyrroloquinoline quinone and its ester derivative on primary cortical neurons | Neurotoxicology |
31226464 | 20190901 | Pyrroloquinoline quinine ameliorates doxorubicin-induced autophagy-dependent apoptosis via lysosomal-mitochondrial axis in vascular endothelial cells | Toxicology |
30240821 | 20181120 | Mitochondrial regulation by pyrroloquinoline quinone prevents rotenone-induced neurotoxicity in Parkinson's disease models | Neuroscience letters |
30322941 | 20181023 | Prolonging healthy aging: Longevity vitamins and proteins | Proceedings of the National Academy of Sciences of the United States of America |
28578007 | 20171201 | Sensitivity of hiPSC-derived neural stem cells (NSC) to Pyrroloquinoline quinone depends on their developmental stage | Toxicology in vitro : an international journal published in association with BIBRA |
Complexity: | 647 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 330.01241515 |
Formal Charge: | 0 |
Heavy Atom Count: | 24 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 330.01241515 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 175 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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