| Identification | Back Directory | [Name]
3-METHYLGLUTACONIC ACID | [CAS]
5746-90-7 | [Synonyms]
NSC 249232
3-METHYLGLUTACONIC ACID
glutacouic acide 3-methyl
(E)-3-methylglutaconic acid
3-METHYL-2-PENTENEDIOIC ACID
3-METHYL-PENT-2-ENEDIOIC ACID
2-Pentenedioic acid, 3-methyl-
5746-90-7 3-METHYLGLUTACONIC ACID
3-Methyl-delta^2-penten-1,5-dioic acid
3-Methylglutaconic acid, mixture of E and Z isomers | [Molecular Formula]
C6H8O4 | [MDL Number]
MFCD01556044 | [MOL File]
5746-90-7.mol | [Molecular Weight]
144.13 |
| Chemical Properties | Back Directory | [Melting point ]
115 °C | [Boiling point ]
399.4±25.0 °C(Predicted) | [density ]
1.307±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [solubility ]
DMSO (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
4.36±0.10(Predicted) | [color ]
White to Light Beige | [BRN ]
1722907 | [Stability:]
Hygroscopic | [Major Application]
clinical testing | [InChI]
1S/C6H8O4/c1-4(2-5(7)8)3-6(9)10/h2H,3H2,1H3,(H,7,8)(H,9,10)/b4-2+ | [InChIKey]
WKRBKYFIJPGYQC-DUXPYHPUSA-N | [SMILES]
C/C(CC(O)=O)=C\C(O)=O |
| Hazard Information | Back Directory | [Uses]
3-Methylglutaconic acid is a glutarate which builds up in the urine in 3-methylglutaconic aciduria. 3-methylglutaconic aciduria is a term used to describe five different disorders that impair the functioning of energy-producing centers within cells (mitochondria) | [Definition]
ChEBI: A dicarboxylic acid comprising (E)-glutaconic acid carrying a 3-methyl substituent. | [Biological Activity]
3-Methylglutaconic acid is a metabolite (as the CoA thioester) in the leucine degradative pathway as well as the mevalonate shunta pathway th at links isoprenoid metabolism with mitochondrial acetyl-CoA metabolism. 3-Methylglutaconic acid accumulates in patients with a deficiency of 3-methylglutaconyl-CoA hydratase. | [in vivo]
| Animal Model: | Male Sprague-Dawley rats and male Hartley guinea-pigs[2] | | Dosage: | 0.16 mL/kg, 90 min | | Administration: | Intraperitoneal injection (i.p.) | | Result: | Increased initial blood pressure and heart rate in rats followed by vagal bradycardia and hypotension (rat)
Developed three patterns of cardiovascular changes (Type 1: a period of sympathetically-mediated hypertension and tachycardia followed by vagal bradycardia; Type 2: Increased arterial pressure and heart rate, but no vagal activation; Type 3: exhibited no significant cardiovascular changes(Guinea-pigs).
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| Animal Model: | Male Wistar rats[3] | | Dosage: | 45mg/kg for single dose, 4days | | Administration: | Intraperitoneal injection (i.p.) | | Result: | Decreased in NR2B expression on the whole cerebellum tissue and Purkinje cells.
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