chelidamic acid
chelidamic acid structure
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Common Name | chelidamic acid | ||
|---|---|---|---|---|
| CAS Number | 138-60-3 | Molecular Weight | 183.118 | |
| Density | 1.7±0.1 g/cm3 | Boiling Point | 428.3±45.0 °C at 760 mmHg | |
| Molecular Formula | C7H5NO5 | Melting Point | 267 °C (dec.)(lit.) | |
| MSDS | Chinese USA | Flash Point | 212.8±28.7 °C | |
| Symbol |
GHS07 |
Signal Word | Warning | |
Use of chelidamic acidChelidamic acid is a heterocyclic organic acid with a pyran skeleton. Chelidamic acid has good coordination ability with noble metal ions. Chelidamic acid is also one of the most potent inhibitors of glutamate decarboxylase, with a Ki of 33 μM. |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Chelidamic acid |
|---|---|
| Synonym | More Synonyms |
This table contains bioactivity, target information and biological‑assay experimental data of this compound.
| Description | Chelidamic acid is a heterocyclic organic acid with a pyran skeleton. Chelidamic acid has good coordination ability with noble metal ions. Chelidamic acid is also one of the most potent inhibitors of glutamate decarboxylase, with a Ki of 33 μM. |
|---|---|
| Related Catalog | |
| Target |
Ki: 33 μM (Glutamate decarboxylase)[3]. |
| In Vitro | Chelidamic acid is a heterocyclic organic acid with a pyran skeleton[1]. Chelidamic acid has good coordination ability with noble metal ions[2]. Chelidamic acid is also one of the most potent inhibitors of glutamate decarboxylase, with a Ki of 33 μM[3]. |
| References |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.7±0.1 g/cm3 |
|---|---|
| Boiling Point | 428.3±45.0 °C at 760 mmHg |
| Melting Point | 267 °C (dec.)(lit.) |
| Molecular Formula | C7H5NO5 |
| Molecular Weight | 183.118 |
| Flash Point | 212.8±28.7 °C |
| Exact Mass | 183.016769 |
| PSA | 107.46000 |
| LogP | -1.43 |
| Vapour Pressure | 0.0±2.2 mmHg at 25°C |
| Index of Refraction | 1.635 |
| InChIKey | XTLJJHGQACAZMS-UHFFFAOYSA-N |
| SMILES | O=C(O)c1cc(=O)cc(C(=O)O)[nH]1 |
This table provides MSDS information including hazard classification, first‑aid, fire‑fighting, spill handling, operation and storage instructions.
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Symbol |
GHS07 |
|---|---|
| Signal Word | Warning |
| Hazard Statements | H315-H319-H335 |
| Precautionary Statements | P261-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Gloves |
| Hazard Codes | Xi:Irritant; |
| Risk Phrases | R36/37/38 |
| Safety Phrases | S26-S36 |
| RIDADR | NONH for all modes of transport |
| WGK Germany | 3 |
| HS Code | 2933399090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
|
~92%
chelidamic acid CAS#:138-60-3 |
| Literature: Horvath, Gyoergy; Rusa, Cristian; Koentoes, Zoltan; Gerencser, Janos; Huszthy, Peter Synthetic Communications, 1999 , vol. 29, # 21 p. 3719 - 3731 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 1 | |
|---|---|
| DownStream 10 | |
CAS#:109880-40-2
CAS#:53389-01-8
CAS#:4722-94-5
CAS#:5371-70-0
CAS#:184870-12-0![[4-chloro-6-(hydroxymethyl)pyridin-2-yl]methanol structure](https://image.chemsrc.com/caspic/470/1817-20-5.png)
CAS#:1817-20-5
CAS#:18986-54-4
CAS#:19872-91-4
CAS#:206647-42-9
CAS#:126769-30-0This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933399090 |
|---|---|
| Summary | 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table lists relevant public references with title, journal and publication metadata for this compound.
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Chelidonic acid and other conformationally restricted substrate analogues as inhibitors of rat brain glutamate decarboxylase.
Biochem. Pharmacol. 34 , 4145-4150, (1985) Twenty conformationally restricted analogues of glutamate including benzoic acids, hydroxy-benzoic acids, pyridine dicarboxylic acids, and pyran dicarboxylic acids were tested as inhibitors of glutama... |
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Synthesis, DNA-cleaving properties and cytotoxicity of intercalating chelidamic acid derivatives.
Anticancer Drug Des. 13(8) , 837-55, (1998) We have explored the potential antitumour activity of DNA-intercalating free radical generators based on compounds constructed from 9-anilinoacridine and chelidamic acid as an iron (II) binding centre... |
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[Use of the radial hemolysis reaction for titrating antirabies sera].
Vopr. Virusol. 29(3) , 360-1, (1984)
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| Pd(OH)2/C |
| chelidamic acid |
| 4-Hydroxypyridine-2,6-dicarboxylic Acid Monohydrate |
| 4-oxo-1,4-dihydro-2,6-pyridinedicarboxylic acid |
| MFCD00066478 |
| 4-Hydroxy-2,6-pyridinedicarboxylic acid |
| 4-oxo-1,4-dihydropyridine-2,6-dicarboxylic acid |
| 4-PYRIDONE-2,6-DICARBOXYLIC ACID |
| 1,4-dihydro-4-oxo-2,6-pyridinedicarboxylic acid |
| .HELIDAMIC AICD |
| CHELIDAMIC ACID HYDRATE |
| Chelidamaic acid |
| Chelidamic Acid Monohydrate |
| Chelidamic aicd |
| Ammox-chelidonic acid |
| 4-Hydroxypyridine-2,6-dicarboxylic acid |
| chelidamic acid approx. |
| EINECS 205-335-8 |
| 4-hydroxyl-pyridine-2,6-dicarboxylic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the polar surface area (PSA) of Chelidamic acid? |
| A: Polar surface area (PSA) of Chelidamic acid is 107.46000. |
| Q: What is the SMILES notation of Chelidamic acid? |
| A: SMILES notation of Chelidamic acid is O=C(O)c1cc(=O)cc(C(=O)O)[nH]1. |
| Q: What is the InChIKey of Chelidamic acid? |
| A: InChIKey of Chelidamic acid is XTLJJHGQACAZMS-UHFFFAOYSA-N. |
| Q: What is the molecular formula of Chelidamic acid? |
| A: Molecular formula of Chelidamic acid is C7H5NO5. |
| Q: What is the molecular weight of Chelidamic acid? |
| A: Molecular weight of Chelidamic acid is 183.118. |
| Q: What is the boiling point of Chelidamic acid? |
| A: Boiling point of Chelidamic acid is 428.3±45.0 °C at 760 mmHg. |
| Q: What is the LogP of Chelidamic acid? |
| A: LogP of Chelidamic acid is -1.43. |
| Q: What is the safety information for Chelidamic acid? |
| A: Safety information for Chelidamic acid: S26-S36. |
| Q: What is the English name of Chelidamic acid? |
| A: The English name of Chelidamic acid is Chelidamic acid. |
| Q: What are the downstream products of Chelidamic acid? |
| A: Related downstream products(CAS) of Chelidamic acid: 109880-40-2;53389-01-8;4722-94-5;5371-70-0;184870-12-0;1817-20-5;18986-54-4;19872-91-4;206647-42-9;126769-30-0. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| BioBioPha |
| Dayang Chem (Hangzhou) Co., Ltd. |
| naturewill |