| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 18 | Yes |
Popular Name: Sulfisoxazole Sulfisoxazole
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1021066-10-3 , 127-69-5 , 4299-60-9 , [127-69-5]
127-69-5; C07318; Sulfisoxazole
127-69-5; CPD000037657; SAM002554929; Sulfisoxazole
127-69-5; D00450; Gantrisin (TN); Sulfafurazole (INN); Sulfisoxazole (JP16/USP)
127-69-5; Prestwick_726; Sulfisoxazole
2200-44-4 (mono-hydrochloride salt)
3,4-Dimethyl-5-sulfanilamidoisoxazole
3,4-Dimethyl-5-sulfonamidoisoxazole
3,4-Dimethyl-5-sulphanilamidoisoxazole
3,4-Dimethyl-5-sulphonamidoisoxazole
3,4-dimethylisoaxazole-5-sulfanilimide
3,4-Dimethylisoxale-5-sulfanilamide
3,4-Dimethylisoxazole-5-sulfanilamide
3,4-Dimethylisoxazole-5-sulphanilamide
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
4-Amino-N-(3,4-dimethyl-isoxazol-5-yl)-benzenesulfonamide
4-Amino-N-(3,4-dimethylisoxazol-5-yl)-benzenesulfonamide
4-Amino-N-(3,4-dimethylisoxazol-5-yl)benzenesulfonamide
4-amino-N-[(5Z)-3,4-dimethyl-2,5-dihydro-1,2-oxazol-5-ylidene]benzene-1-sulfonamide
4299-60-9; D05957; Gantrisin (TN); Sulfafurazole diolamine; Sulfisoxazole diolamine (USAN)
5-Sulfanilamido-3,4-dimethyl-isoxazole
5-Sulfanilamido-3,4-dimethylisoxazole
5-Sulphanilamido-3,4-dimethyl-isoxazole
AMINODIMETHYLISOXAZOLYLBENZENESULFONAMID
AZO GANTRISIN; C11H11N5.C11H13N3O3S.HCl; LS-178483; PHENAZOPYRIDINE HYDROCHLORIDE; SULFISOXAZOLE
Component of Azo Gantrisin Accuzole
CPD000037657; SAM002554929; Sulfisoxazole
INN); Sulfisoxazole Diolamine (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) | 1.16 | -0.53 | -50.8 | 2 | 6 | -1 | 100 | 266.302 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.16 | -0.6 | -22.44 | 3 | 6 | 0 | 101 | 267.31 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 0.99 | -0.7 | -81.74 | 3 | 6 | 0 | 102 | 267.31 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 3.034 | Bitter DB |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Therapy | antibacterial | SMDC Iconix |
| biological_use | Antiseptic | IBScreen Bioactives IBScreen Bioactives |
| biological_use | Antiseptic; Protozoacide | ZereneX Building Blocks |
| mechanism | Folate antagonist | IBScreen Bioactives IBScreen Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| biological_use | Low acute toxicity | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : S-0069; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE POWDER | NIH Clinical Collection via PubChem |
| biological_use | Protozoacide | IBScreen Bioactives |
| mechanism | Restrict folate synthesis through competitive antagonism of PABA | IBScreen Bioactives |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: S-0069; SUPPLIER_COMMENTS: WHITE POWDER | NIH Clinical Collection via PubChem |
| biological_use | Short-acting sulfonamide used for urinary tract infections. | IBScreen Bioactives |
| Purity | Usp24 ; EP3 | APIChem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA-3-E | Endothelin Receptor ET-A (cluster #3 Of 3), Eukaryotic | Eukaryotes | 9000 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 780 | 0.48 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 780 | 0.48 | Binding ≤ 1μM |
| EDNRA_RAT | P26684 | Endothelin Receptor ET-A, Rat | 780 | 0.48 | Binding ≤ 10μM |
| EDNRA_HUMAN | P25101 | Endothelin Receptor ET-A, Human | 780 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| G alpha (q) signalling events | |
| Peptide ligand-binding receptors |
