3,5-Diiodosalicylic acid - CAS 133-91-5
Catalog: |
BB007838 |
Product Name: |
3,5-Diiodosalicylic acid |
CAS: |
133-91-5 |
Synonyms: |
2-hydroxy-3,5-diiodobenzoic acid |
IUPAC Name: | 2-hydroxy-3,5-diiodobenzoic acid |
Description: | 3,5-Diiodosalicylic acid (CAS# 133-91-5) is an metabolite of Aspirin (A187780), an anti-inflammatory, anti-platelet and cancer-preventive agent. 3,5-Diiodosalicylic Acid was shown to exhibit agonist activity at GPR35, a orphan G protein coupled receptor. |
Molecular Weight: | 389.91 |
Molecular Formula: | C7H4I2O3 |
Canonical SMILES: | C1=C(C=C(C(=C1I)O)C(=O)O)I |
InChI: | InChI=1S/C7H4I2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12) |
InChI Key: | DHZVWQPHNWDCFS-UHFFFAOYSA-N |
Boiling Point: | 380.8 °C at 760 mmHg |
Melting Point: | 227-235 °C |
Purity: | 95 % |
Density: | 2.697 g/cm3 |
Appearance: | Off-white to beige or grey powder |
Storage: | Keep container closed when not in use. Store in a cool, dry, well-ventilated area away from incompatible substances. |
MDL: | MFCD00002444 |
LogP: | 2.29960 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021180896-A1 | Topical preparations | 20200313 |
JP-2021110922-A | Positive resist material and pattern formation method | 20200108 |
CN-110898070-A | Application of multi-iodo benzoic acid as CVB3 virus inhibitor | 20191227 |
CN-111110669-A | Application of polyiodinated iodocarboxylic acid in resisting EV71 virus | 20191227 |
CN-111116395-A | Multi-iodo aromatic acid compound and application thereof in resisting adenovirus 7 | 20191227 |
PMID | Publication Date | Title | Journal |
21460411 | 20110301 | Specificity of the volume-activated amino acid efflux pathway in cultured human breast cancer cells | General physiology and biophysics |
20418200 | 20100601 | Benzene exposure near the U.S. permissible limit is associated with sperm aneuploidy | Environmental health perspectives |
20689228 | 20100101 | Transthyretin-related familial amyloidotic polyneuropathy-Progress in Kumamoto, Japan (1967-2010)- | Proceedings of the Japan Academy. Series B, Physical and biological sciences |
19265398 | 20090501 | Modeling kinetics of subcellular disposition of chemicals | Chemical reviews |
19017725 | 20090215 | Differential nuclear scaffold/matrix attachment marks expressed genes | Human molecular genetics |
Complexity: | 186 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 389.82499 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 389.82499 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.6 |
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