5-Aminoindolin-2-one - CAS 20876-36-2
Catalog: |
BB016370 |
Product Name: |
5-Aminoindolin-2-one |
CAS: |
20876-36-2 |
Synonyms: |
5-amino-1,3-dihydroindol-2-one; 5-amino-1,3-dihydroindol-2-one |
IUPAC Name: | 5-amino-1,3-dihydroindol-2-one |
Description: | 5-Aminoindolin-2-one (CAS# 20876-36-2) is useful in the synthesis of anticancer drugs, Cyclin dependent kinase inhibitors and spleen tyrosine kinase (Syk) inhibitors. |
Molecular Weight: | 148.16 |
Molecular Formula: | C8H8N2O |
Canonical SMILES: | C1C2=C(C=CC(=C2)N)NC1=O |
InChI: | InChI=1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4,9H2,(H,10,11) |
InChI Key: | JPUYXUBUJJDJNL-UHFFFAOYSA-N |
Boiling Point: | 416.8 °C at 760 mmHg |
Density: | 1.307 g/cm3 |
MDL: | MFCD02179603 |
LogP: | 1.48260 |
GHS Hazard Statement: | H302 (92.68%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P272, P280, P301+P312, P302+P352, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111848585-A | 2, 4-disubstituted quinazoline derivative, preparation method thereof and application thereof in antitumor drugs | 20200805 |
CN-111675647-A | 2-indolone PAK1 inhibitor and application thereof in antitumor drugs | 20200626 |
WO-2021057818-A1 | Fxia inhibitors and preparation method therefor and pharmaceutical use thereof | 20190927 |
WO-2020181232-A1 | Heterocyclic compounds for medical treatment | 20190306 |
CN-111285872-A | Indole-2-ketone derivative and preparation method and application thereof | 20181206 |
PMID | Publication Date | Title | Journal |
19433356 | 20090615 | Differences in CYP3A4 catalyzed bioactivation of 5-aminooxindole and 5-aminobenzsultam scaffolds in proline-rich tyrosine kinase 2 (PYK2) inhibitors: retrospective analysis by CYP3A4 molecular docking, quantum chemical calculations and glutathione adduct detection using linear ion trap/orbitrap mass spectrometry | Bioorganic & medicinal chemistry letters |
Complexity: | 181 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 148.063662883 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 148.063662883 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 55.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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Amines and Anilines
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