2-Amino-3-methoxybenzoic Acid - CAS 3177-80-8
Catalog: |
BB021056 |
Product Name: |
2-Amino-3-methoxybenzoic Acid |
CAS: |
3177-80-8 |
Synonyms: |
2-amino-3-methoxybenzoic acid; 2-amino-3-methoxybenzoic acid |
IUPAC Name: | 2-amino-3-methoxybenzoic acid |
Description: | 2-Amino-3-methoxybenzoic Acid (CAS# 3177-80-8) is used in the preparation of CDK1/cyclin B inhibitors for application towards antitumor treatment. In addition, it is used in the synthesis of Alogliptin, an inhibitor of dipeptidy peptidase, which aids in the lowering of blood-glucose for potential treatment of diabetes. |
Molecular Weight: | 167.16 |
Molecular Formula: | C8H9NO3 |
Canonical SMILES: | COC1=CC=CC(=C1N)C(=O)O |
InChI: | InChI=1S/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11) |
InChI Key: | SXOPCLUOUFQBJV-UHFFFAOYSA-N |
Boiling Point: | 333.9 °C at 760 mmHg |
Density: | 1.303 g/cm3 |
MDL: | MFCD00075178 |
LogP: | 1.55680 |
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-2021211784-A2 | Method of treating coronavirus infections | 20200415 |
WO-2021155194-A1 | Therapeutic peptides | 20200129 |
WO-2021097256-A1 | Cxcr4 antagonist peptides | 20191114 |
US-2021128589-A1 | Phosphonium ion channel blockers and methods for use | 20191106 |
WO-2021092148-A1 | Phosphonium ion channel blockers and methods for use | 20191106 |
PMID | Publication Date | Title | Journal |
16442626 | 20060301 | Copper(II) interactions with non-steroidal anti-inflammatory agents. III--3-Methoxyanthranilic acid as a potential *OH-inactivating ligand: a quantitative investigation of its copper handling role in vivo | Journal of inorganic biochemistry |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 167.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 167.058243149 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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