3,4-Dihydroxybenzoic acid - CAS 99-50-3
Catalog: |
BB042301 |
Product Name: |
3,4-Dihydroxybenzoic acid |
CAS: |
99-50-3 |
Synonyms: |
3,4-dihydroxybenzoic acid |
Application: |
anti-tumor,anti-microbial |
IUPAC Name: | 3,4-dihydroxybenzoic acid |
Description: | 3,4-Dihydroxybenzoic acid is discussed to represent antioxidative food components in a human diet rich in fruits and vegetables, and has been shown to prevent carcinogenesis or antitumor growth in vivo, it has apoptotic effect on human gastric carcinoma cells involving JNK/p38 MAPK signaling activation.3,4-Dihydroxybenzoic acid can prevent Abeta (25-35)-induced neuronal cell damage by interfering with the increase of [Ca(2+)](c), and then by inhibiting glutamate release, generation of ROS and caspase-3 activity.3,4-Dihydroxybenzoic acid has protection against Adriamycin cytotoxicity and inhibition of DNA topoisomerase II activity. 3,4-Dihydroxybenzoic acid has nematicidal activity against Meloidogyne incognita.3,4-Dihydroxybenzoic acid shows significant antioxidant using DPPH and antimicrobial activities. |
Molecular Weight: | 154.12 |
Molecular Formula: | C7H6O4 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)O)O |
InChI: | InChI=1S/C7H6O4/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,8-9H,(H,10,11) |
InChI Key: | YQUVCSBJEUQKSH-UHFFFAOYSA-N |
Boiling Point: | 410.7 °C at 760 mmHg |
Melting Point: | 198-202°C |
Flash Point: | 200.00 °F. TCC ( 93.33 °C. ) |
Purity: | > 98 % |
Density: | 1.559 g/cm3 |
Appearance: | Powder |
Storage: | Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002509 |
LogP: | 0.79600 |
Quality Standard: | Enterprise Standard |
Stability: | Stable. Incompatible with strong oxidizing agents, strong bases. |
Vapor Pressure: | 0.0000021 [mmHg] |
GHS Hazard Statement: | H315 (79.65%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113476516-A | External-use liquid medicine | 20210827 |
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PMID | Publication Date | Title | Journal |
33497687 | 20210301 | Neuroprotective effects of protocatechuic acid on sodium arsenate induced toxicity in mice: Role of oxidative stress, inflammation, and apoptosis | Chemico-biological interactions |
32461003 | 20201001 | Differential susceptibility of PC12 and BRL cells and the regulatory role of HIF-1α signaling pathway in response to acute methylmercury exposure under normoxia | Toxicology letters |
32758512 | 20200901 | Protocatechuic acid modulates reproductive dysfunction linked to furan exposure in rats | Toxicology |
32198167 | 20200505 | Oxidative Catabolism of (+)-Pinoresinol Is Initiated by an Unusual Flavocytochrome Encoded by Translationally Coupled Genes within a Cluster of (+)-Pinoresinol-Coinduced Genes in Pseudomonas sp. Strain SG-MS2 | Applied and environmental microbiology |
31850806 | 20191201 | Acute Methylmercury Exposure and the Hypoxia-Inducible Factor-1α Signaling Pathway under Normoxic Conditions in the Rat Brain and Astrocytes in Vitro | Environmental health perspectives |
Complexity: | 157 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.02660867 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.02660867 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 77.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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