3-Methylglutaric acid - CAS 626-51-7
Catalog: |
BB031716 |
Product Name: |
3-Methylglutaric acid |
CAS: |
626-51-7 |
Synonyms: |
3-methylpentanedioic acid |
IUPAC Name: | 3-methylpentanedioic acid |
Description: | A potent, reversible inhibitor of 5-lipoxygenase, blocking leukotriene synthesis with an IC50 value of 0.7 μM in intact human polymorphonuclear leukocytes. It also attenuates leukotriene B4 synthesis, prevents carrageenan-induced pleurisy, and protects against platelet-activating factor-induced shock in mice when given intraperitoneally. |
Molecular Weight: | 146.14 |
Molecular Formula: | C6H10O4 |
Canonical SMILES: | CC(CC(=O)O)CC(=O)O |
InChI: | InChI=1S/C6H10O4/c1-4(2-5(7)8)3-6(9)10/h4H,2-3H2,1H3,(H,7,8)(H,9,10) |
InChI Key: | XJMMNTGIMDZPMU-UHFFFAOYSA-N |
Boiling Point: | 299 °C at 760 mmHg |
Melting Point: | 81-86 °C |
Purity: | 95 % |
Density: | 1.246 g/cm3 |
Appearance: | White to off-white powder |
MDL: | MFCD00002727 |
LogP: | 0.57190 |
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 |
22264224 | 20120501 | Anaerobic degradation of 4-methylbenzoate via a specific 4-methylbenzoyl-CoA pathway | Environmental microbiology |
20882351 | 20120101 | The 3-methylglutaconic acidurias: what's new? | Journal of inherited metabolic disease |
22013910 | 20111021 | Computational analysis of a novel mutation in ETFDH gene highlights its long-range effects on the FAD-binding motif | BMC structural biology |
21112411 | 20110301 | Mitochondrial optic neuropathies - disease mechanisms and therapeutic strategies | Progress in retinal and eye research |
21050883 | 20110201 | Neurochemical evidence that 3-methylglutaric acid inhibits synaptic Na+,K+-ATPase activity probably through oxidative damage in brain cortex of young rats | International journal of developmental neuroscience : the official journal of the International Society for Developmental Neuroscience |
Complexity: | 125 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.05790880 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.05790880 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 74.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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