| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: 4-(Trifluoromethyl)phenacyl bromide 4-(Trifluoromethyl)phenacyl bromide
Find On: PubMed — Wikipedia — Google
CAS Numbers: 383-53-9 , [383-53-9]
"4-(Trifluoromethyl)phenacyl bromide, 97%"
2-bromo-1-(4-(trifluoromethyl)phenyl)ethanone
2-bromo-1-[4-(trifluoromethyl)phenyl]-1-ethanone
2-bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one
2-Bromo-4'-(trifluoromethyl)acetophenone
2-Bromo-4'-(trifluoromethyl)acetophenone, 2-Bromo-1-[4-(trifluoromethyl)phenyl]ethan-1-one
2-bromo-4'-trifluoromethylacetophenone
4'-(Trifluoromethyl)phenacyl bromide
4-(Trifluoromethyl)phenacyl bromide 97%
| 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) | 3.09 | 2.86 | -7.48 | 0 | 1 | 0 | 17 | 267.044 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 45 - 46 | Acros Organics |
| MP | 50-52° | Matrix Scientific |
| MP | 55 | TCI |
| MP | 55-55° | Matrix Scientific |
| Purity | 85% | Fluorochem |
| Purity | 97% | Matrix Scientific |
| Hazard | C: Corrosive | Acros Organics |
| Warnings | CORROSIVE | Matrix Scientific |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H314: Causes severe skin burns and eye damage | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | 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 for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | 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 |
| 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 | 0.53 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 5000 | 0.53 | 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.