TRIHEPTANOIN
TRIHEPTANOIN structure
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Common Name | TRIHEPTANOIN | ||
|---|---|---|---|---|
| CAS Number | 620-67-7 | Molecular Weight | 428.603 | |
| Density | 1.0±0.1 g/cm3 | Boiling Point | 470.0±12.0 °C at 760 mmHg | |
| Molecular Formula | C24H44O6 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 195.5±19.6 °C | |
Use of TRIHEPTANOINTriheptanoin (Propane-1,2,3-triyl triheptanoate) is a synthetic medium-chain triglyceride (MCT) consisting of three odd-chain 7-carbon (heptanoate) fatty acids on a glycerol backbone. Triheptanoin can be used for the research of inherited metabolic disorders[1]. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | triheptanoin |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Triheptanoin (Propane-1,2,3-triyl triheptanoate) is a synthetic medium-chain triglyceride (MCT) consisting of three odd-chain 7-carbon (heptanoate) fatty acids on a glycerol backbone. Triheptanoin can be used for the research of inherited metabolic disorders[1]. |
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| Related Catalog | |
| In Vivo | In long-chain fatty acid oxidation disorders (LC-FAOD), Triheptanoin is used as an anaplerotic compound, acting as a source of calories and fatty acids to bypass the LC-FAOD enzyme deficiencies[1]. Triheptanoin can be used for the research of ataxia-telangiectasia (A-T)[2]. Triheptanoin functions as an anaplerotic agent replenishing tricarboxylic acid (TCA) cycle intermediates by metabolism to heptanoate (C7) and subsequently acetyl-CoA and propionyl-CoA that feed into the TCA cycle to supply energy[2]. Triheptanoin mitigates brain ATP depletion and mitochondrial dysfunction, including respiration and redox balance in a mouse model of Alzheimer's disease, supporting the energy failure hypothesis for that disorder[2]. Triheptanoin (Mice were treated with Triheptanoin (35E%) for 10 days prior to pilocarpine injection to induce status epilepticus) preserved mitochondrial functions in the hippocampal formations of pilocarpine-induced status epilepticus (SE) mice[3]. Animal Model: 7-8 week old male CD1 (35-40 g)[3] Dosage: 35E% oral Triheptanoin was mixed into mouse chow Administration: Given 35E% Triheptanoin treatment 10 days prior to SE induction Result: Preserved mitochondrial functions in SE mice. |
| References |
[1]. Matt Shirley. Triheptanoin: First Approval. Drugs. 2020 Oct;80(15):1595-1600. |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.0±0.1 g/cm3 |
|---|---|
| Boiling Point | 470.0±12.0 °C at 760 mmHg |
| Molecular Formula | C24H44O6 |
| Molecular Weight | 428.603 |
| Flash Point | 195.5±19.6 °C |
| Exact Mass | 428.313782 |
| PSA | 78.90000 |
| LogP | 7.73 |
| Vapour Pressure | 0.0±1.2 mmHg at 25°C |
| Index of Refraction | 1.457 |
| InChIKey | PJHKBYALYHRYSK-UHFFFAOYSA-N |
| SMILES | CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC |
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 presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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TRIHEPTANOIN CAS#:620-67-7 |
| Literature: Ozaki Biochemische Zeitschrift, 1926 , vol. 177, p. 166 Proceedings of the Imperial Academy (Tokyo), vol. 2, p. 343 Chem. Zentralbl., 1926 , vol. 97, # II p. 2451 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2915900090 |
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| Summary | 2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary qHTS for inhibitors of NSP2Pro chikungunya virus (CHIKV)
Source: NCGC
External Id: APP-Toga-CHIKV-nsp2-p
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Name: Antiviral activity determined as inhibition of SARS-CoV-2 induced cytotoxicity of VER...
Source: ChEMBL
Target: Severe acute respiratory syndrome coronavirus 2
External Id: CHEMBL4513082
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Name: SARS-CoV-2 3CL-Pro protease inhibition percentage at 20µM by FRET kind of response f...
Source: ChEMBL
Target: Replicase polyprotein 1ab
External Id: CHEMBL4495582
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Triheptanoin |
| Glycerol-1,2,3-triheptanoate |
| TRIHEPTANION |
| trioenanthoin |
| Propane-1,2,3-triyl triheptanoate |
| trienanthoin |
| propane-1,2,3-triyl trisheptanoate |
| 1,2,3-Propanetriyl triheptanoate |
| glyceryl triheptanoate |
| glycerol trienanthate |
| 1,2,3-tris-heptanoyloxy-propane |
| glyceroltriheptanoate |
| triheptylin |
| tri-heptanoi |
| 1,2,3-Tris-heptanoyloxy-propan |
| Heptanoic acid, 1,2,3-propanetriyl ester |
| triheptanoicglyceride |
| TRIOENANTHIN |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What are the upstream materials of triheptanoin? |
| A: Related upstream materials(CAS) of triheptanoin: 111-14-8;56-81-5. |
| Q: What is the boiling point of triheptanoin? |
| A: Boiling point of triheptanoin is 470.0±12.0 °C at 760 mmHg. |
| Q: What is the polar surface area (PSA) of triheptanoin? |
| A: Polar surface area (PSA) of triheptanoin is 78.90000. |
| Q: What is the molecular formula of triheptanoin? |
| A: Molecular formula of triheptanoin is C24H44O6. |
| Q: What is the LogP of triheptanoin? |
| A: LogP of triheptanoin is 7.73. |
| Q: What are the uses of triheptanoin? |
| A: Main uses of triheptanoin: Triheptanoin (Propane-1,2,3-triyl triheptanoate) is a synthetic medium-chain triglyceride (MCT) consisting of three odd-chain 7-carbon (heptanoate) fatty acids on a glycerol backbone. Triheptanoin can be used for the research of inherited metabolic disorders[1]. |
| Q: What is the molecular weight of triheptanoin? |
| A: Molecular weight of triheptanoin is 428.603. |
| Q: What is the SMILES notation of triheptanoin? |
| A: SMILES notation of triheptanoin is CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC. |
| Q: What is the InChIKey of triheptanoin? |
| A: InChIKey of triheptanoin is PJHKBYALYHRYSK-UHFFFAOYSA-N. |
| Q: What is the CAS number of triheptanoin? |
| A: CAS number of triheptanoin is 620-67-7. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |