6-Bromoquinazoline - CAS 89892-21-7
Catalog: |
BB039678 |
Product Name: |
6-Bromoquinazoline |
CAS: |
89892-21-7 |
Synonyms: |
6-bromoquinazoline; 6-bromoquinazoline |
IUPAC Name: | 6-bromoquinazoline |
Description: | 6-Bromoquinazoline (CAS# 89892-21-7) is a reagent for structure-based design of biaryl mannoside fimH inhibitors for use in urinary infection treatment. |
Molecular Weight: | 209.04 |
Molecular Formula: | C8H5BrN2 |
Canonical SMILES: | C1=CC2=NC=NC=C2C=C1Br |
InChI: | InChI=1S/C8H5BrN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H |
InChI Key: | FLQBSQZDZFVMTO-UHFFFAOYSA-N |
Boiling Point: | 304.254 °C at 760 mmHg |
Purity: | 97.0 % |
Density: | 1.657 g/cm3 |
Appearance: | Solid |
MDL: | MFCD08236695 |
LogP: | 2.39230 |
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-113024435-A | Linbicyclic structure sigma-1 receptor inhibitors | 20191209 |
WO-2020160134-A1 | Acetamido derivatives as dna polymerase theta inhibitors | 20190130 |
TW-201946629-A | MAT2A heterobicyclic inhibitor and method for treating cancer | 20180330 |
WO-2019191470-A1 | Heterobicyclic inhibitors of mat2a and methods of use for treating cancer | 20180330 |
AU-2019243289-A1 | Heterobicyclic inhibitors of MAT2A and methods of use for treating cancer | 20180330 |
Complexity: | 140 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 207.96361 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 207.96361 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 25.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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