2-Amino-4,6-dimethoxybenzoic Acid - CAS 21577-57-1
Catalog: |
BB016977 |
Product Name: |
2-Amino-4,6-dimethoxybenzoic Acid |
CAS: |
21577-57-1 |
Synonyms: |
2-amino-4,6-dimethoxybenzoic acid; 2-amino-4,6-dimethoxybenzoic acid |
IUPAC Name: | 2-amino-4,6-dimethoxybenzoic acid |
Description: | 2-Amino-4,6-dimethoxybenzoic Acid (CAS# 21577-57-1) is used to prepare N-(5-Chloro-1,3-benzodioxol-4-yl)-7-[2-(4-methylpiperazin-1-yl)ethoxy]-5- (tetrahydro-2H-pyran-4-yloxy)quinazolin-4-amine as a highly selective, orally available, dual-specific c-Src/Abl kinase inhibitor. |
Molecular Weight: | 197.19 |
Molecular Formula: | C9H11NO4 |
Canonical SMILES: | COC1=CC(=C(C(=C1)N)C(=O)O)OC |
InChI: | InChI=1S/C9H11NO4/c1-13-5-3-6(10)8(9(11)12)7(4-5)14-2/h3-4H,10H2,1-2H3,(H,11,12) |
InChI Key: | HZBQKANLOSWJLU-UHFFFAOYSA-N |
Boiling Point: | 374.809 °C at 760 mmHg |
Density: | 1.295 g/cm3 |
LogP: | 1.56540 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111617085-A | Targeted HDAC inhibitor and application thereof in antitumor therapeutic drugs | 20200709 |
EP-3619205-A1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
TW-201906834-A | Inhibitor of human immunodeficiency virus replication | 20170502 |
WO-2018203235-A1 | Inhibitors of human immunodeficiency virus replication | 20170502 |
JP-2020518601-A | Inhibitors of human immunodeficiency virus replication | 20170502 |
Complexity: | 209 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.06880783 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.06880783 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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