5-Hydroxyindole-2-carboxylic acid - CAS 21598-06-1
Catalog: |
BB016997 |
Product Name: |
5-Hydroxyindole-2-carboxylic acid |
CAS: |
21598-06-1 |
Synonyms: |
5-hydroxy-1H-indole-2-carboxylic acid |
IUPAC Name: | 5-hydroxy-1H-indole-2-carboxylic acid |
Description: | A competitive antagonist of potentiation by glycine at the N-methyl-D-aspartate receptors that have been linked to neuronal death, assiciated to such afflictions as stroke and epilepsy. |
Molecular Weight: | 177.16 |
Molecular Formula: | C9H7NO3 |
Canonical SMILES: | C1=CC2=C(C=C1O)C=C(N2)C(=O)O |
InChI: | InChI=1S/C9H7NO3/c11-6-1-2-7-5(3-6)4-8(10-7)9(12)13/h1-4,10-11H,(H,12,13) |
InChI Key: | BIMHWDJKNOMNLD-UHFFFAOYSA-N |
Boiling Point: | 511.4 °C at 760 mmHg |
Melting Point: | 249 °C |
Purity: | 95 % |
Density: | 1.57 g/cm3 |
Appearance: | Light yellow to beige crystalline powder |
Storage: | Refrigerator (+4 °C) |
MDL: | MFCD00005615 |
LogP: | 1.57170 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021119554-A1 | Compositions and methods for potentiating immune activity | 20191212 |
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JP-2021525729-A | Sepiapterin Methods for Increasing Plasma Exposure | 20180530 |
PMID | Publication Date | Title | Journal |
21966422 | 20110101 | Protection of melanized Cryptococcus neoformans from lethal dose gamma irradiation involves changes in melanin's chemical structure and paramagnetism | PloS one |
19874052 | 20091101 | Microsecond analysis of transient molecules using bi-directional capillary electrophoresis | Analytical chemistry |
19789711 | 20090930 | Physico-chemical evaluation of rationally designed melanins as novel nature-inspired radioprotectors | PloS one |
19456097 | 20090709 | 5-hydroxyindole-2-carboxylic acid amides: novel histamine-3 receptor inverse agonists for the treatment of obesity | Journal of medicinal chemistry |
18261514 | 20080225 | Analysis of catecholamines and their metabolites in adrenal gland by liquid chromatography tandem mass spectrometry | Analytica chimica acta |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.042593085 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.042593085 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 73.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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