6-Bromo-3,4-dihydroisoquinolin-1(2H)-one - CAS 147497-32-3
Catalog: |
BB010201 |
Product Name: |
6-Bromo-3,4-dihydroisoquinolin-1(2H)-one |
CAS: |
147497-32-3 |
Synonyms: |
6-bromo-3,4-dihydro-2H-isoquinolin-1-one; 6-bromo-3,4-dihydro-2H-isoquinolin-1-one |
IUPAC Name: | 6-bromo-3,4-dihydro-2H-isoquinolin-1-one |
Description: | 6-Bromo-3,4-dihydroisoquinolin-1(2H)-one (CAS# 147497-32-3) is also used in the synthesis of new, selective 3-aminopyrazole based MK2-inhibitors that was proved to inhibit intracellular phosphorylation of hsp27 as well as LPS-induced TNFα release in cells. |
Molecular Weight: | 226.07 |
Molecular Formula: | C9H8BrNO |
Canonical SMILES: | C1CNC(=O)C2=C1C=C(C=C2)Br |
InChI: | InChI=1S/C9H8BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4H2,(H,11,12) |
InChI Key: | FQPKKECSRKYXIZ-UHFFFAOYSA-N |
Boiling Point: | 453.294 °C at 760 mmHg |
Density: | 1.559 g/cm3 |
MDL: | MFCD04114858 |
LogP: | 2.06380 |
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 |
WO-2021157684-A1 | Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof | 20200206 |
WO-2021080359-A1 | Bicyclic compound and use thereof | 20191023 |
WO-2020247475-A1 | Imidazo[1,2-c]pyrimidine derivatives as prc2 inhibitors for treating cancer | 20190605 |
WO-2020219448-A1 | Naphthyridine derivatives as prc2 inhibitors | 20190422 |
US-2020216417-A1 | Inhibitors of fibroblast activation protein | 20190104 |
Complexity: | 195 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.97893 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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Quinoline/Isoquinoline
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