| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 10 | No |
Popular Name: 2-Bromoacetophenone 2-Bromoacetophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 186402-62-0 , 1970/11/1 , 25873.0 , 70-11-1 , 780706-50-5 , [70-11-1]
2-Bromoacetophenone; Bromomethyl phenyl ketone; alpha-Bromoacetophenone; omega-Bromoacetophenone
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.20 | 0.7 | -7.15 | 0 | 1 | 0 | 17 | 199.047 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 135 (p=18 torr) | Acros Organics |
| BP | 135 / 18 | TCI |
| BP | 136 / 18 | TCI |
| Boiling_Point | 140?/11mm | Alfa-Aesar |
| Boiling_Point | 140°/11mm | Alfa-Aesar |
| Mp [°C] | 46 - 51 | Acros Organics |
| Melting_Point | 48-51? | Alfa-Aesar |
| Melting_Point | 48-51° | Alfa-Aesar |
| mp | 49 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 50 | TCI |
| MP | 51 | TCI |
| Purity | 98% | Fluorochem |
| H phrase | H331: Toxic if inhaled | Acros Organics |
| H phrase | H331: Toxic if inhaled; H314: Causes severe skin burns and eye damage; H301: Toxic if swallowed; H318: Causes serious eye damage | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| UniProt Database Links | PA21B_PIG | ChEBI |
| R phrase | R23/25: Toxic by inhalation and if swallowed. | Acros Organics |
| R phrase | R23/25: Toxic by inhalation and if swallowed.; R34: Causes burns. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| PUBCHEM_PATENT_ID | US4290943 | IBM Patent Data |
| Purity | ¡Ý99% (HPLC) | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3B-2-E | Glycogen Synthase Kinase-3 Beta (cluster #2 Of 7), Eukaryotic | Eukaryotes | 5000 | 0.74 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 5000 | 0.74 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| AKT phosphorylates targets in the cytosol | |
| APC truncation mutants have impaired AXIN binding | |
| AXIN missense mutants destabilize the destruction complex | |
| Beta-catenin phosphorylation cascade | |
| Constitutive PI3K/AKT Signaling in Cancer | |
| CRMPs in Sema3A signaling | |
| Degradation of beta-catenin by the destruction complex | |
| disassembly of the destruction complex and recruitment of AXIN to the membrane | |
| misspliced GSK3beta mutants stabilize beta-catenin | |
| Regulation of HSF1-mediated heat shock response | |
| S33 mutants of beta-catenin aren't phosphorylated | |
| S37 mutants of beta-catenin aren't phosphorylated | |
| S45 mutants of beta-catenin aren't phosphorylated | |
| T41 mutants of beta-catenin aren't phosphorylated | |
| truncations of AMER1 destabilize the destruction complex |
No pre-computed analogs available. Try a structural similarity search.