| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 8 | No |
Popular Name: 1-Methyl-1H-pyrrole-2,5-dione 1-Methyl-1H-pyrrole-2,5-dione
Find On: PubMed — Wikipedia — Google
CAS Numbers: 930-88-1 , [930-88-1]
| 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) | -0.21 | 1.45 | -8 | 0 | 3 | 0 | 39 | 111.1 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| Mp [°C] | 93 - 98 | Acros Organics |
| Melting_Point | 94-96? | Alfa-Aesar |
| Melting_Point | 94-96° | Alfa-Aesar |
| purity | 95 | Enamine Building Blocks |
| MP | 95 - 97 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| MP | 95...97 | Enamine Building Blocks |
| MP | 97 | TCI |
| H phrase | H300: Fatal if swallowed | Acros Organics |
| H phrase | H300: Fatal if swallowed; H317: May cause an allergic skin reaction; H331: Toxic if inhaled; H311: Toxic in contact with skin; H314: Causes severe skin burns and eye damage | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/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 rinsing; P302 + P352: IF ON SKIN: | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin. | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin.; R25: Toxic if swallowed.; R34: Causes burns.; R43: May cause sensitisation by skin contact. | 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 |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3A-2-E | Glycogen Synthase Kinase-3 Alpha (cluster #2 Of 3), Eukaryotic | Eukaryotes | 5000 | 0.93 | Binding ≤ 10μM |
| GSK3B-3-E | Glycogen Synthase Kinase-3 Beta (cluster #3 Of 7), Eukaryotic | Eukaryotes | 5000 | 0.93 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| GSK3A_HUMAN | P49840 | Glycogen Synthase Kinase-3 Alpha, Human | 5000 | 0.93 | Binding ≤ 10μM |
| GSK3B_HUMAN | P49841 | Glycogen Synthase Kinase-3 Beta, Human | 5000 | 0.93 | 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 | |
| XBP1(S) activates chaperone genes |
No pre-computed analogs available. Try a structural similarity search.