| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 30th, 2005 | 11 | Yes |
Popular Name: 4-Amino-2-hydroxybenzoic acid 4-Amino-2-hydroxybenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123465-67-8 , 133-09-5 , 133-10-8 , 2066-89-9 , 6018-19-5 , 6059-16-1 , 65-49-6 , 8031-28-5 , N/A , [133-15-3] , [65-49-6]
133-10-8; Aminosalicylate sodium anhydrous; C08055; Sodium p-aminosalicylate
4-AMINO-2-HYDROXYBENZOIC ACID; [65-49-6]
4-Aminosalicylate; 4-Aminosalicylic acid; 65-49-6; C02518
4-Aminosalicylic acid calcium salt
4-Aminosalicylic acid;4-Amino-2-hydroxybenzoic acid
AMINOSALICYLATE SODIUM; AMINOSALICYLIC ACID; LS-187824; NEOPASALATE
Aminosalicylic acid; PAS; Para-amino salicylic acid; p-aminosalicylic acid
benzoic acid, 4-amino-2-hydroxy-, monosodium salt
Calcium para-aminosalicylate (JP16); D03368; Nippas calcium (TN)
CHEBI:1789; CHEBI:41152; CHEBI:20320
FDA); Aminosalicylate Potassium (USP); Potassium Aminosalicylate (FDA); Aminosalicylate Sodium (FDA
isonicotinic acid hydrazide P-*aminosalicylate
p-Aminosalicylic acid magnesium salt
p-Aminosalicylicacidmagnesiumsalt
Sodium 4-amino-2-hydroxybenzoate
Sodium 4-amino-2-hydroxybenzoate dihydrate
Sodium 4-aminosalicylate dihydrate
Sodium4-amino-2-hydroxybenzoate
USP); Aminosalicylate Calcium (USP); Calcium Para-Aminosalicylate (JAN)
USP); Aminosalicylate Potassium (USP); Potassium Aminosalicylate (FDA)
USP); Aminosalicylate Potassium (USP); Potassium Aminosalicylate (FDA); Aminosalicylate sodium (FDA
| 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) | 0.92 | 0.99 | -53.23 | 3 | 4 | -1 | 86 | 152.129 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.18e+01 g/l | DrugBank-approved |
| M.P | 135-145 °C | Indofine |
| MP | 135-145° | Oakwood Chemical |
| Mp [°C] | 147 | Acros Organics |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Purity | 98.5% | APIChem |
| UniProt Database Links | A16L1_HUMAN; A16L1_MOUSE; A16L1_PONAB; AB13I_ARATH; ACUK_CHAGB; ACUK_NECH7; ACUK_NEUCR; ACUK_PHANO; ACUK_PYRTR; ACUK_SCLS1; ACUK_SORMK; ADO1_ARATH; ADO1_ORYSJ; ADO2_ARATH; ADO2_ORYSJ; ADO3_ARATH; ADO3_ORYSJ; AER_ECOLI; AHA1_CAEEL; AHRR_HUMAN; AHRR_MOUSE | ChEBI |
| Therapy | antibacterial (tuberculostatic) | SMDC Iconix |
| therap | antibacterial, tuberculostatic | MicroSource Spectrum |
| Melting_Point | ca 135-145? dec. | Alfa-Aesar |
| Melting_Point | ca 135-145° dec. | Alfa-Aesar |
| Patent Database Links | EP1754712; EP1884520; US2003105066; US2005080087; US2005090473; US2005287114; US2006003972; US2007184076; US2007232718; US2008279932; WO2006088919; WO2006117315; WO2006117316 | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Target | NF-¦ĘB | Selleck Chemicals |
| 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 |
| Reactome Database Links | REACT_6832 | ChEBI |
| 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 |
|---|---|---|---|---|---|
| PTN1-1-E | Protein-tyrosine Phosphatase 1B (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1200 | 0.75 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PTN1_HUMAN | P18031 | Protein-tyrosine Phosphatase 1B, Human | 1200 | 0.75 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Acetylation |
| Description | Species |
|---|---|
| Growth hormone receptor signaling | |
| Integrin alphaIIb beta3 signaling | |
| Regulation of IFNA signaling | |
| Regulation of IFNG signaling |
