| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 27th, 2005 | 22 | Yes |
.Beta.-(4,5-Diphenyloxazol-2-yl)propionic acid
2-Oxazolepropanoic acid, 4,5-diphenyl-
2-Oxazolepropanoic acid, 4,5-diphenyl-, potassium salt; Daypro Alta; LS-186561; Oxaprozin Potassium
2-Oxazolepropionic acid, 4,5-diphenyl-
21256-18-8; 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid; nsc310839
21256-18-8; D00463; Daypro (TN); Oxaprozin (JP16/USAN/INN)
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
3-(4,5-diphenyl-1,3-oxazol-2-yl)propionic acid
3-(4,5-Diphenyl-2-oxazolyl)propenoic acid
3-(4,5-Diphenyloxazol-2-yl)propanoic acid
3-(4,5-Diphenyloxazol-2-yl)propanoicacid
4, 5-Diphenyl-2-oxazolepropionic acid
4,5-Diphenyl-2-oxazolepropanoic acid
4,5-Diphenyl-2-oxazolepropionic acid
beta-(4,5-Diphenyloxazol-2-yl)propionic acid
CPD000058286; OXAPROZIN; SAM001246770
Danoprox; Daypro; Dayrun; Deflam; Duraprox; Walix
oxaprozin; oxaprozina; oxaprozine; oxaprozinum
Oxaprozina [INN-Spanish]; Oxaprozine [INN-French]; Oxaprozinum [INN-Latin]
Oxaprozina [INN-Spanish];Oxaprozine [INN-French];Oxaprozinum [INN-Latin]
Rhoxalpharma brand of oxaprozin
| 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) | 3.75 | 8.5 | -48.54 | 0 | 4 | -1 | 66 | 292.314 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 154 - 155 | Acros Organics |
| ALOGPS_SOLUBILITY | 3.25e-02 g/l | DrugBank-approved |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Therapy | antiinflammatory | SMDC Iconix |
| Indications | arthritis | KeyOrganics Bioactives |
| Target | COX | Selleck Chemicals |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled; H312: Harmful in contact with skin | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP012475o | NIH Clinical Collection via PubChem |
| Target | Others | Selleck Chemicals |
| 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP012475o | NIH Clinical Collection via PubChem |
| Hazard | XN: Harmful | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CTRA-1-E | Alpha-chymotrypsin (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CTRA_BOVIN | P00766 | Alpha-chymotrypsin, Bovin | 2 | 0.55 | Binding ≤ 1μM |
| CTRA_BOVIN | P00766 | Alpha-chymotrypsin, Bovin | 2 | 0.55 | Binding ≤ 10μM |
