3-hydroxy-3-methylglutaric acid
3-hydroxy-3-methylglutaric acid structure
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Common Name | 3-hydroxy-3-methylglutaric acid | ||
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| CAS Number | 503-49-1 | Molecular Weight | 162.14100 | |
| Density | 1.417 g/cm3 | Boiling Point | 120 °C / 13mmHg | |
| Molecular Formula | C6H10O5 | Melting Point | 105-108 °C(lit.) | |
| MSDS | Chinese USA | Flash Point | 182.2ºC | |
Use of 3-hydroxy-3-methylglutaric acidMeglutol is an antilipemic agent which lowers cholesterol, triglycerides, serum beta-lipoproteins and phospholipids, and inhibits the activity of hydroxymethylglutarryl CoA reductases, which is the rate limiting enzyme in the biosynthesis of cholesterol. |
Summary: 3-Hydroxy-3-methylglutaric acid (Meglutol, CAS number: 503-49-1, molecular formula: C6H10O5, molecular weight: 162.14100) is a gray-white powder that reduces cholesterol, triglycerides, and serum β-lipoproteins and phospholipids, and inhibits the activity of hydroxymethylglutaryl coenzyme A reductase, which is a rate-limiting enzyme in cholesterol biosynthesis. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-hydroxy-3-methylglutaric acid |
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| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Meglutol is an antilipemic agent which lowers cholesterol, triglycerides, serum beta-lipoproteins and phospholipids, and inhibits the activity of hydroxymethylglutarryl CoA reductases, which is the rate limiting enzyme in the biosynthesis of cholesterol. |
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| Related Catalog |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.417 g/cm3 |
|---|---|
| Boiling Point | 120 °C / 13mmHg |
| Melting Point | 105-108 °C(lit.) |
| Molecular Formula | C6H10O5 |
| Molecular Weight | 162.14100 |
| Flash Point | 182.2ºC |
| Exact Mass | 162.05300 |
| PSA | 94.83000 |
| Index of Refraction | 1.512 |
| InChIKey | NPOAOTPXWNWTSH-UHFFFAOYSA-N |
| SMILES | CC(O)(CC(=O)O)CC(=O)O |
| Storage condition | −20°C |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table summarizes toxicological test data, acute & chronic toxicity and ecological hazard parameters for this chemical.
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATAACUTE TOXICITY DATA
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This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Personal Protective Equipment | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
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| Hazard Codes | Xi |
| Risk Phrases | 36/37/38 |
| Safety Phrases | S22-S24/25 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 2 |
| RTECS | MA3753000 |
| HS Code | 2918199090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 9 | |
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| DownStream 10 | |
CAS#:7564-64-9
CAS#:89622-82-2
CAS#:7440-44-0
CAS#:25201-40-5
CAS#:674-26-0![7-O-[hydrogen (3S)-3-hydroxy-3-methylglutaryl]retronecanol Structure](https://image.chemsrc.com/caspic/249/88205-12-3.png)
CAS#:88205-12-3
CAS#:34695-32-4
CAS#:81943-18-2
CAS#:73489-84-6
CAS#:476-56-2
CAS#:2387-23-7
CAS#:481-74-3
CAS#:19115-49-2
CAS#:87894-65-3
CAS#:150-97-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2918199090 |
|---|---|
| Summary | 2918199090 other carboxylic acids with alcohol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:6.5%。General tariff:30.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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NMR spectroscopic studies on the late onset form of 3-methylglutaconic aciduria type I and other defects in leucine metabolism.
NMR Biomed. 19(2) , 271-8, (2006) A diagnosis of 3-methylglutaconic aciduria type I (OMIM: 250950) based on elevated urinary excretion of 3-methylglutaconic acid (3MGA), 3-methylglutaric acid (3MG) and 3-hydroxyisovaleric acid (3HIVA)... |
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Unimolecular reaction chemistry of a charge-tagged beta-hydroxyperoxyl radical.
Phys. Chem. Chem. Phys. 16(45) , 24954-64, (2014) β-Hydroxyperoxyl radicals are formed during atmospheric oxidation of unsaturated volatile organic compounds such as isoprene. They are intermediates in the combustion of alcohols. In these environment... |
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Mitochondrial DNA depletion associated with partial complex II and IV deficiencies and 3-methylglutaconic aciduria.
J. Child Neurol. 16(2) , 136-8, (2001) We report a patient with mitochondrial DNA depletion, partial complex II and IV deficiencies, and 3-methylglutaconic aciduria. Complex II deficiency has not been previously observed in mitochondrial D... |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Binding affinity towards rat Gabra1 in an in vitro assay with cellular components mea...
Source: ChEMBL
Target: Gamma-aminobutyric acid receptor subunit alpha-1
External Id: CHEMBL5291800
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: Binding affinity towards human ESR1 in an in vitro cell free assay (CRO assay) measur...
Source: ChEMBL
Target: Estrogen receptor
External Id: CHEMBL5291792
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Name: Compound was evaluated for inhibition of human F2 in an in vitro cell free assay meas...
Source: ChEMBL
Target: Prothrombin
External Id: CHEMBL5291794
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Name: Primary cell-based high-throughput screening for identification of compounds that all...
Source: Johns Hopkins Ion Channel Center
Target: MAS-related GPR member X1 [Homo sapiens]
External Id: JHICC_MrgX1_AlloAgonist_Primary
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Name: Primary cell-based high-throughput screening for identification of compounds that ant...
Source: Johns Hopkins Ion Channel Center
Target: MAS-related GPR member X1 [Homo sapiens]
External Id: JHICC_MrgX1_Antagonist_Primary
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Name: Phenotypic Assay to Identify Small Molecules that Upregulate Production of hCFTR in H...
Source: Southern Research Institute
Target: CFTR
External Id: CF Folding
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Name: Identifying Sarm1 Tir Hydrolase inhibitors through NAD-Glo assay
Source: 24386
Target: N/A
External Id: Sarm1 Tir NADase inhibitors screen
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Name: Binding affinity towards human DRD1 in an in vitro assay with cellular components (NI...
Source: ChEMBL
Target: D(1A) dopamine receptor
External Id: CHEMBL5291779
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| EINECS 207-971-1 |
| MFCD00002712 |
| 3-hydroxy-3-methylpentanedioic acid |
| 3-Hydroxy-3-Methylglutaric Acid |
| Meglutol |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3-hydroxy-3-methylglutaric acid? |
| A: SMILES notation of 3-hydroxy-3-methylglutaric acid is CC(O)(CC(=O)O)CC(=O)O. |
| Q: What is the CAS number of 3-hydroxy-3-methylglutaric acid? |
| A: CAS number of 3-hydroxy-3-methylglutaric acid is 503-49-1. |
| Q: What is the InChIKey of 3-hydroxy-3-methylglutaric acid? |
| A: InChIKey of 3-hydroxy-3-methylglutaric acid is NPOAOTPXWNWTSH-UHFFFAOYSA-N. |
| Q: What are the storage conditions for 3-hydroxy-3-methylglutaric acid? |
| A: Storage conditions for 3-hydroxy-3-methylglutaric acid: −20°C. |
| Q: What are the uses of 3-hydroxy-3-methylglutaric acid? |
| A: Main uses of 3-hydroxy-3-methylglutaric acid: Meglutol is an antilipemic agent which lowers cholesterol, triglycerides, serum beta-lipoproteins and phospholipids, and inhibits the activity of hydroxymethylglutarryl CoA reductases, which is the rate limiting enzyme in the biosynthesis of cholesterol. |
| Q: What is the English name of 3-hydroxy-3-methylglutaric acid? |
| A: The English name of 3-hydroxy-3-methylglutaric acid is 3-hydroxy-3-methylglutaric acid. |
| Q: What English synonyms does 3-hydroxy-3-methylglutaric acid have? |
| A: English synonyms of 3-hydroxy-3-methylglutaric acid: EINECS 207-971-1, MFCD00002712, 3-hydroxy-3-methylpentanedioic acid, 3-Hydroxy-3-Methylglutaric Acid, Meglutol. |
| Q: What are the downstream products of 3-hydroxy-3-methylglutaric acid? |
| A: Related downstream products(CAS) of 3-hydroxy-3-methylglutaric acid: 476-56-2;34695-32-4;2387-23-7;481-74-3;19115-49-2;87894-65-3;7564-64-9;674-26-0;73489-84-6;150-97-0. |
| Q: What are the upstream materials of 3-hydroxy-3-methylglutaric acid? |
| A: Related upstream materials(CAS) of 3-hydroxy-3-methylglutaric acid: 7564-64-9;89622-82-2;7440-44-0;25201-40-5;674-26-0;88205-12-3;34695-32-4;81943-18-2;73489-84-6. |
| Q: What is the molecular formula of 3-hydroxy-3-methylglutaric acid? |
| A: Molecular formula of 3-hydroxy-3-methylglutaric acid is C6H10O5. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |