| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 2-Bromo-4'-methylacetophenone 2-Bromo-4'-methylacetophenone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 619-41-0 , N/A , [619-41-0]
2-bromo-1-(4-methylphenyl)ethan-1-one
2-bromo-1-(4-methylphenyl)ethanone
2-bromo-1-(p-tolyl)ethan-1-one
2-Bromo-4'-methylacetophenone, 97%
2-Bromo-4'-methylacetophenone, 98%
| 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) | 2.65 | 1.02 | -7.02 | 0 | 1 | 0 | 17 | 213.074 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 105?/0.1mm | Alfa-Aesar |
| Boiling_Point | 105°/0.1mm | Alfa-Aesar |
| BP | 159 / 14 | TCI |
| MP | 45 - 49 | Enamine Building Blocks |
| MP | 45-49° | Oakwood Chemical |
| MP | 45...49 | Enamine Building Blocks |
| Melting_Point | 50-54? | Alfa-Aesar |
| Melting_Point | 50-54° | Alfa-Aesar |
| Mp [°C] | 52 - 53 | Acros Organics |
| MP | 53 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| 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 | 2500 | 0.71 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 2500 | 0.71 | 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 |
