| Chemical & Physical Properties | |
|---|---|
| CAS Number | 99-32-1 |
| Catalog No. | 2A-9018126 |
| Chinese Name | 白屈菜酸 |
| Synonyms | 4-oxopyran-2,6-dicarboxylic acid; EINECS 202-749-0; MFCD00006577 |
| Molecular Formula | C7H4O6 |
| Molecular Weight | 184.10 |
| Purity | ≥95 |
| Density | 1.821 g/cm3 |
| Boiling Point | 471.3ºC at 760 mmHg |
| Melting Point | 265 °C (dec.) (lit.) |
| Appearance | powder |
| Storage Condition | 2-8°C |
| Application | Chelidonic acid is an acid substance isolated from Chelidonium majus L., which is a mild analgesic, antibacterial agent and central nervous system sedative. Chelidonic acid has anti-inflammatory effec |
| EINECS | 202-749-0 |
| HTC | 2932999099 |
| PubChem ID | 24863888 |
| MDL Number | MFCD00006577 |
| SMILES | OC(=O)C1=CC(=O)C=C(O1)C(O)=O |
| InChI | 1S/C7H4O6/c8-3-1-4(6(9)10)13-5(2-3)7(11)12/h1-2H,(H,9,10)(H,11,12) |
| InChI Key | PBAYDYUZOSNJGU-UHFFFAOYSA-N |
| Beilstein/REAXYS | 163607 |
| NACRES Code | NA.22 |
| UNSPSC | 12352100 |
| MSDS | msds/18126_1_99_32_1.pdf |
| Use of | Chelidonic acid is a component of Chelidonium majus L., used as a mild analgesic, an antimicrobial, an acentral nervous system sedative. Chelidonic acid also shows anti-inflammatory activity. Chelidonic acid has potential to inhibit IL-6 production by blocking NF-κB and caspase-1[1]. Chelidonic acid is a glutamate decarboxylase inhibitor, with a Ki of 1.2 μM[2]. Properties Name Chelidonic Acid Synonym More Synonyms Chelidonic acid Biological Activity Description Chelidonic acid is a component of Chelidonium majus L., used as a mild analgesic, an antimicrobial, an acentral nervous system sedative. Chelidonic acid also shows anti-inflammatory activity. Chelidonic acid has potential to inhibit IL-6 production by blocking NF-κB and caspase-1[1]. Chelidonic acid is a glutamate decarboxylase inhibitor, with a Ki of 1.2 μM[2]. Related Catalog Signaling Pathways >> Apoptosis >> Caspase Research Areas >> Inflammation/Immunology Glutamate decarboxylase:1.2 μM (Ki) References [2]. Porter TG, et al. Chelidonic acid and other conformationally restricted substrate analogues as inhibitors of rat brain glutamate decarboxylase. Biochem Pharmacol. 1985 Dec 1;34(23):4145-50. [3]. Oh HA, et al. Beneficial effects of chelidonic acid on a model of allergic rhinitis. Send to Int Immunopharmacol. 2011 Jan;11(1):39-45. Chemical & Physical Properties Molecular Formula C7H4O6 Exact Mass 184.00100 PSA 104.81000 LogP 0.03620 Toxicological Information CHEMICAL IDENTIFICATION RTECS NUMBER : CHEMICAL NAME : 4H-Pyran-2,6-dicarboxylic acid, 4-oxo- CAS REGISTRY NUMBER : BEILSTEIN REFERENCE NO. : LAST UPDATED : DATA ITEMS CITED : MOLECULAR FORMULA : MOLECULAR WEIGHT : WISWESSER LINE NOTATION : T6O DVJ BVQ FVQ HEALTH HAZARD DATA ACUTE TOXICITY DATA TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : Safety Information 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; Safety Phrases S26-S36 RIDADR NONH for all modes of transport WGK Germany 3 RTECS UP7350000 HS Code 2932999099 Synthetic Route Diethyloxalate CAS#:95-92-1 CAS#:67-64-1 Chelidonic acid CAS#:99-32-1 Literature: Terazzi, Emmanuel; Zaim, Amir; Bocquet, Bernard; Varin, Johan; Guenee, Laure; Dutronc, Thibault; Lemonnier, Jean-Francois; Floquet, Sebastien; Cadot, Emmanuel; Heinrich, Benoit; Donnio, Bertrand; Piguet, Claude European Journal of Inorganic Chemistry, 2013 , # 19 p. 3323 - 3333 diethyl 2,4,6-t... CAS#:68854-18-2 Chelidonic acid CAS#:99-32-1 Literature: Gan, Xin-Min; Paine, Robert T.; Duesler, Eileen N.; Noeth, Heinrich Dalton Transactions, 2003 , # 1 p. 153 - 159 Ethyl 3-oxoglutarate CAS#:105-50-0 Chelidonic acid CAS#:99-32-1 Literature: Organic Letters, , vol. 13, # 12 p. 3194 - 3197 Precursor & DownStream Precursor 5 CAS#:95-92-1 Diethyloxalate CAS#:67-64-1 CAS#:68854-18-2 diethyl 2,4,6-t... CAS#:105-50-0 Ethyl 3-oxoglutarate DownStream 10 CAS#:1120-93-0 4H-Pyran-4-thione CAS#:1120-94-1 4H-Thiopyran-4-... CAS#:4722-94-5 4-Chloro-2,6-py... CAS#:5371-70-0 Dimethyl 4-chlo... |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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