| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2005 | 12 | Yes |
Popular Name: 4-(aminomethyl)benzenesulfonamide acetate 4-(aminomethyl)benzenesulfonamid…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13009-99-9 , 138-37-4 , 138-37-4, 138-39-6 [mafen , 138-39-6 , 65195-43-9 , N/A , [13009-99-9] , [138-37-4]
138-37-4; Mafenide hydrochloride; Prestwick_640
138-39-6; D02351; Mafenide (USAN/INN)
4-(aminomethyl)benzene-1-sulfonamide
4-(aminomethyl)benzene-1-sulfonamide; acetic acid
4-(aminomethyl)benzenesulfonamide
4-(AMINOMETHYL)BENZENESULFONAMIDE ACETATE; CPD000058778; MAFENIDE ACETATE; SAM002589996
4-(AMINOMETHYL)BENZENESULFONAMIDE ACETATE; CPD000058778; SAM002589996
4-(Aminomethyl)benzenesulfonamide hydrochloride
4-(Aminomethyl)benzenesulfonamide hydrochloride hydrate
4-(aminomethyl)benzenesulfonamideacetate
4-Aminomethyl-benzenesulfonamide
4-Aminomethylbenzenesulfonamide
4-Aminomethylbenzenesulfonamide hydrochloride
4-Aminomethylbenzenesulfonamide, HCl
4-HOMOSULFANILAMIDE HYDROCHLORIDE
AMINOMETHYLBENZENESULFONAMIDEACETATE 4()-
AMINOMETHYLBENZENESULFONAMIDEHYDROCHLORIDE 4-
benzenesulfonamide, 4-(aminomethyl)-
Benzenesulfonamide, 4-(aminomethyl)- (9CI)
benzenesulfonamide, 4-(aminomethyl)-, acetate
benzenesulfonamide, 4-(aminomethyl)-, acetate (1:1)
D04815; Homosulfamine; Mafenide hydrochloride
α-Amino-p-toluenesulfonamide Hydrochloride
| 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) | -0.18 | -2.51 | -57.02 | 5 | 4 | 1 | 88 | 187.244 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.18 | -2.91 | -10.08 | 4 | 4 | 0 | 86 | 186.236 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mechanism | Folic acid biosynthesis antimetabolite | ZereneX Building Blocks |
| MP | 150 - 152 | Enamine Building Blocks |
| MP | 150...152 | Enamine Building Blocks |
| MP | 261 - 263 | Enamine Building Blocks |
| MP | 261...263 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Therapy | antibacterial | SMDC MicroSource |
| biological_use | Antiseptic | IBScreen Bioactives |
| mechanism | Folic acid biosynthesis antagonist | IBScreen Bioactives |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Refrigerate | Matrix Scientific |
| PUBCHEM_SUBSTANCE_COMMENT | NCC_SAMPLE_SUPPLIER : LightBiologicals; NCC_SUPPLIER_STRUCTURE_ID : S-8788; NCC_SUPPLIER_SAMPLE_COMMENTS : WHITE CRYSTALLINE POWDER; 1 acetic acid | NIH Clinical Collection via PubChem |
| PUBCHEM_SUBSTANCE_COMMENT | SAMPLE_SUPPLIER: LightBiologicals; SUPPLIER_STRUCTURE_ID: S-8788; SALT: 1 acetic acid; SUPPLIER_COMMENTS: WHITE CRYSTALLINE POWDER | NIH Clinical Collection via PubChem |
| biological_use | Used as an antibacterial agent in treatment of second- and third-degree burns | IBScreen Bioactives IBScreen Bioactives |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH-1-A | Carbonic Anhydrase (cluster #1 Of 2), Archaea | Archaea | 8500 | 0.59 | Binding ≤ 10μM |
| CYNT-1-B | Carbonic Anhydrase (cluster #1 Of 3), Bacterial | Bacteria | 873 | 0.71 | Binding ≤ 10μM |
| P96878-1-B | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (cluster #1 Of 2), Bacterial | Bacteria | 7330 | 0.60 | Binding ≤ 10μM |
| Y1284-1-B | Uncharacterized Protein Rv1284/MT1322 (cluster #1 Of 2), Bacterial | Bacteria | 8690 | 0.59 | Binding ≤ 10μM |
| B5SU02-2-E | Alpha Carbonic Anhydrase (cluster #2 Of 6), Eukaryotic | Eukaryotes | 83 | 0.83 | Binding ≤ 10μM |
| C0IX24-1-E | Carbonic Anhydrase (cluster #1 Of 5), Eukaryotic | Eukaryotes | 508 | 0.73 | Binding ≤ 10μM |
| CAH12-1-E | Carbonic Anhydrase XII (cluster #1 Of 9), Eukaryotic | Eukaryotes | 0 | 0.00 | Binding ≤ 10μM |
| CAH13-1-E | Carbonic Anhydrase XIII (cluster #1 Of 7), Eukaryotic | Eukaryotes | 41 | 0.86 | Binding ≤ 10μM |
| CAH14-8-E | Carbonic Anhydrase XIV (cluster #8 Of 8), Eukaryotic | Eukaryotes | 3200 | 0.64 | Binding ≤ 10μM |
| CAH15-2-E | Carbonic Anhydrase 15 (cluster #2 Of 6), Eukaryotic | Eukaryotes | 970 | 0.70 | Binding ≤ 10μM |
| CAH2-6-E | Carbonic Anhydrase II (cluster #6 Of 15), Eukaryotic | Eukaryotes | 4000 | 0.63 | Binding ≤ 10μM |
| CAH4-1-E | Carbonic Anhydrase IV (cluster #1 Of 16), Eukaryotic | Eukaryotes | 2800 | 0.65 | Binding ≤ 10μM |
| CAH5A-1-E | Carbonic Anhydrase VA (cluster #1 Of 10), Eukaryotic | Eukaryotes | 920 | 0.70 | Binding ≤ 10μM |
| CAH5B-1-E | Carbonic Anhydrase VB (cluster #1 Of 9), Eukaryotic | Eukaryotes | 920 | 0.70 | Binding ≤ 10μM |
| CAH6-7-E | Carbonic Anhydrase VI (cluster #7 Of 8), Eukaryotic | Eukaryotes | 4800 | 0.62 | Binding ≤ 10μM |
| CAH7-1-E | Carbonic Anhydrase VII (cluster #1 Of 8), Eukaryotic | Eukaryotes | 75 | 0.83 | Binding ≤ 10μM |
| CAH9-9-E | Carbonic Anhydrase IX (cluster #9 Of 11), Eukaryotic | Eukaryotes | 103 | 0.82 | Binding ≤ 10μM |
| CAN-1-F | Carbonic Anhydrase (cluster #1 Of 3), Fungal | Fungi | 433 | 0.74 | Binding ≤ 10μM |
| Q5AJ71-1-F | Carbonic Anhydrase (cluster #1 Of 4), Fungal | Fungi | 170 | 0.79 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| B5SU02_9CNID | B5SU02 | Alpha Carbonic Anhydrase, 9cnid | 82.5 | 0.83 | Binding ≤ 1μM |
| CAN_YEAST | P53615 | Carbonic Anhydrase, Yeast | 433 | 0.74 | Binding ≤ 1μM |
| CAH_METTE | P40881 | Carbonic Anhydrase, Mette | 350 | 0.75 | Binding ≤ 1μM |
| C0IX24_9CNID | C0IX24 | Carbonic Anhydrase, 9cnid | 508 | 0.73 | Binding ≤ 1μM |
| Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 170 | 0.79 | Binding ≤ 1μM |
| CYNT_HELPY | O24855 | Carbonic Anhydrase 1, Helpy | 830 | 0.71 | Binding ≤ 1μM |
| CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 970 | 0.70 | Binding ≤ 1μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 170 | 0.79 | Binding ≤ 1μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 103 | 0.82 | Binding ≤ 1μM |
| CAH5A_MOUSE | P23589 | Carbonic Anhydrase VA, Mouse | 920 | 0.70 | Binding ≤ 1μM |
| CAH5B_MOUSE | Q9QZA0 | Carbonic Anhydrase VB, Mouse | 920 | 0.70 | Binding ≤ 1μM |
| CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 75 | 0.83 | Binding ≤ 1μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 0.3 | 1.11 | Binding ≤ 1μM |
| CAH13_MOUSE | Q9D6N1 | Carbonic Anhydrase XIII, Mouse | 41 | 0.86 | Binding ≤ 1μM |
| B5SU02_9CNID | B5SU02 | Alpha Carbonic Anhydrase, 9cnid | 82.5 | 0.83 | Binding ≤ 10μM |
| Q5AJ71_CANAL | Q5AJ71 | Carbonic Anhydrase, Canal | 1109 | 0.69 | Binding ≤ 10μM |
| C0IX24_9CNID | C0IX24 | Carbonic Anhydrase, 9cnid | 508 | 0.73 | Binding ≤ 10μM |
| CAN_YEAST | P53615 | Carbonic Anhydrase, Yeast | 433 | 0.74 | Binding ≤ 10μM |
| CAH_METTE | P40881 | Carbonic Anhydrase, Mette | 350 | 0.75 | Binding ≤ 10μM |
| CYNT_HELPY | O24855 | Carbonic Anhydrase 1, Helpy | 830 | 0.71 | Binding ≤ 10μM |
| CAH15_MOUSE | Q99N23 | Carbonic Anhydrase 15, Mouse | 970 | 0.70 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 170 | 0.79 | Binding ≤ 10μM |
| CAH4_HUMAN | P22748 | Carbonic Anhydrase IV, Human | 2800 | 0.65 | Binding ≤ 10μM |
| CAH4_BOVIN | Q95323 | Carbonic Anhydrase IV, Bovin | 2800 | 0.65 | Binding ≤ 10μM |
| CAH9_HUMAN | Q16790 | Carbonic Anhydrase IX, Human | 103 | 0.82 | Binding ≤ 10μM |
| CAH5A_MOUSE | P23589 | Carbonic Anhydrase VA, Mouse | 920 | 0.70 | Binding ≤ 10μM |
| CAH5B_MOUSE | Q9QZA0 | Carbonic Anhydrase VB, Mouse | 920 | 0.70 | Binding ≤ 10μM |
| CAH6_HUMAN | P23280 | Carbonic Anhydrase VI, Human | 4800 | 0.62 | Binding ≤ 10μM |
| CAH7_HUMAN | P43166 | Carbonic Anhydrase VII, Human | 75 | 0.83 | Binding ≤ 10μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 0.3 | 1.11 | Binding ≤ 10μM |
| CAH13_MOUSE | Q9D6N1 | Carbonic Anhydrase XIII, Mouse | 41 | 0.86 | Binding ≤ 10μM |
| CAH14_HUMAN | Q9ULX7 | Carbonic Anhydrase XIV, Human | 3200 | 0.64 | Binding ≤ 10μM |
| P96878_MYCTU | P96878 | PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE), Myctu | 7330 | 0.60 | Binding ≤ 10μM |
| Y1284_MYCTU | P64797 | Uncharacterized Protein Rv1284/MT1322, Myctu | 8690 | 0.59 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Regulation of gene expression by Hypoxia-inducible Factor | |
| Reversible hydration of carbon dioxide |
No pre-computed analogs available. Try a structural similarity search.