Compound: dibekacin
SMILES: O1[C@H](O[C@@H]2[C@@H](O)[C@H](O[C@H]3O[C@@H](CC[C@H]3N)CN)[C@@H](N)C[C@H]2N)[C@H](O)[C@@H](N)[C@@H]([C@H]1CO)O
InChIKey: JJCQSGDBDPYCEO-XVZSLQNASA-N
Synonyms: dibekacin, 34493-98-6, Panamicin, Debecacin, Dideoxykanamycin B, 3',4'-Dideoxykanamycin B, Dibekacina, Dibekacine, Dibekacinum, DTXSID2022915, 45ZFO9E525, DTXCID302915, (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-6-(hydroxymethyl)oxane-3,5-diol, CHEBI:37945, O-3-Amino-3-deoxy-alpha-D-glucopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-6))-2-deoxy-L-streptamine, (1R,2S,3S,4R,6S)-4,6-diamino-3-(3-amino-3-deoxy-alpha-D-glucopyranosyloxy)-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, (2S,3R,4S,5S,6R)-4-amino-2-((1S,2S,3R,4S,6R)-4,6-diamino-3-((2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl)oxy-2-hydroxycyclohexyl)oxy-6-(hydroxymethyl)oxane-3,5-diol, RefChem:132783, 3',4' Dideoxykanamycin B, B, 3',4'-Dideoxykanamycin, J01GB09, 252-064-6, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl-(1-4))-2-deoxy-, BRN 1441606, Dibekacin (INN), DIBEKACIN [INN], DKB, Dideoxykanamycin B Discontinued, Kappati, (2R,3R,4S,5S,6R)-4-AMINO-2-[(1S,2S,3R,4S,6R)-4,6-DIAMINO-3-[(2R,3R,6S)-3-AMINO-6-(AMINOMETHYL)OXAN-2-YL]OXY-2-HYDROXY-CYCLOHEXYL]OXY-6-(HYDROXYMETHYL)OXANE-3,5-DIOL, (1R,2S,3S,4R,6S)-4,6-diamino-3-[(3-amino-3-deoxy-alpha-D-glucopyranosyl)oxy]-2-hydroxycyclohexyl 2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranoside, D-Streptamine, O-3-amino-3-deoxy-alpha-D-glucopyranosyl-(1-6)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-erythro-hexopyranosyl)-(1-4)-2-deoxy-, Dibekacin [INN:BAN], Dibekacine [INN-French], Dibekacinum [INN-Latin], Dibekacina [INN-Spanish], UNII-45ZFO9E525, 84D, EINECS 252-064-6, Spectrum_001398, DIBEKACIN [JAN], DIBEKACIN [MI], Spectrum2_001528, Spectrum3_000960, Spectrum4_001074, Spectrum5_001613, NCGC00095276-01, DIBEKACIN [WHO-DD], SCHEMBL49816, KBioGR_001428, KBioSS_001878, SPBio_001316, CHEMBL560976, orb1703508, GTPL12134, KBio2_001878, KBio2_004446, KBio2_007014, KBio3_002060, HY-B1129, Tox21_111496, AC-315, EBC-27128, AKOS025402025, CCG-213771, CS-4725, DB13270, NCGC00389765-01, (2S,3R,4S,5S,6R)-4-amino-2-{[(1S,2S,3R,4S,6R)-4,6-diamino-3-{[(2R,3R,6S)-3-amino-6-(aminomethyl)oxan-2-yl]oxy}-2-hydroxycyclohexyl]oxy}-6-(hydroxymethyl)oxane-3,5-diol, CAS-34493-98-6, NS00011541, D07811, AB01563356_01, EN300-20000885, Q3706873, BRD-K48427910-001-01-1, (2S,3R,4S,5S,6R)-4-amino-2-(((1S,2S,3R,4S,6R)-4,6-diamino-3-(((2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydro-2H-pyran-2-yl)oxy)-2-hydroxycyclohexyl)oxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,5-diol, (2S,3R,4S,5S,6R)-4-amino-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[(2R,3R,6S)-3-amino-6-(aminomethyl)tetrahydropyran-2-yl]oxy-2-hydroxy-cyclohexoxy]-6-(hydroxymethyl)tetrahydropyran-3,5-diol, O-3-AMINO-3-DEOXY-.ALPHA.-D-GLUCOPYRANOSYL-(1->4)-O-(2,6-DIAMINO-2,3,4,6-TETRADEOXY-.ALPHA.-D-ERYTHRO-HEXOPYRANOSYL-(1->6))-2-DEOXY-L-STREPTAMINE, O-3-Amino-3-deoxy-?-D-glucopyranosyl-(1?6)-O-[2,6-diamino-2,3,4,6-tetradeoxy-?-D-erythro-hexopyranosyl-(1?4)]-2-deoxy-D-streptamine; 3',4'-Dideoxykanamycin B; DKB; Debecacin; Dibekacin;
Theoretical properties:
molecular_formula: C18H37N5O8
molecular_weight: 451.5 g/mol
exact_mass: 451.26421316 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 9
hydrogen_bond_acceptor_count: 13
rotatable_bond_count: 6
heavy_atom_count: 31
topological_polar_surface_area: 248 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Dibekacin is a kanamycin that is kanamycin B lacking the 3- and 4-hydroxy groups on the 2,6-diaminosugar ring. It has a role as an antibacterial agent and a protein synthesis inhibitor. It is functionally related to a kanamycin B.
chebi: A kanamycin that is kanamycin B lacking the 3- and 4-hydroxy groups on the 2,6-diaminosugar ring.
chembl: DIBEKACIN is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Dibekacin (3',4'-dideoxykanamycin B) is an aminoglycoside antibiotic. It is a semisynthetic derivative of kanamycin developed by Hamao Umezawa and collaborators for Meiji Seika.
It has been used in combination with sulbenicillin.