Concanamycin A
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Basic information
- CAS
80890-47-7- Standard SMILES
C/C=C/[C@H]1O[C@@](O)([C@@H](C)[C@H](O)[C@H](C)[C@H]2OC(=O)/C(OC)=C/C(C)=C/[C@@H](C)[C@@H](O)[C@@H](CC)[C@@H](O)[C@H](C)C/C(C)=C/C=C/[C@@H]2OC)C[C@@H](O[C@H]2C[C@@H](O)[C@H](OC(N)=O)[C@@H](C)O2)[C@@H]1C- InChIKey
DJZCTUVALDDONK-HQMSUKCRSA-N- Molecular formula
- C46H75NO14
- Average molar mass
- 866.1 g/mol
- Monoisotopic mass
- 865.51875607
Overview
Concanamycin A is a concanamycin in which the lactone ring contains 4 double bonds and is substituted by 4 methyl groups, 2 hydroxy groups, 2 methoxy groups and an ethyl group. It has a role as a metabolite, an antifungal agent and an EC 3.6.3.14 (H(+)-transporting two-sector ATPase) inhibitor. It is a carbamate ester and a concanamycin.
Names & identifiers
- Preferred name
- Concanamycin A
- IUPAC
- [(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamate
- English name
- CONCANAMYCIN A
- Molecular formula
- C46H75NO14
- Molecular weight
- 866.09
Names & synonyms
concanamycin a80890-47-7TAN-1323 B[(2R,3S,4R,6R)-6-[(2R,4R,5S,6R)-2-[(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl]-2-hydroxy-5-methyl-6-[(E)-prop-1-enyl]oxan-4-yl]oxy-4-hydroxy-2-methyloxan-3-yl] carbamateCHEBI:73167DTXSID501317320(5R)-3-O-(4-O-carbamoyl-2,6-dideoxy-beta-D-arabino-hexopyranosyl)-2,4-dideoxy-1-C-{(2S,3R,4S)-4-[(2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl]-3-hydroxypentan-2-yl}-4-methyl-5-[(1E)-prop-1-en-1-yl]-alpha-D-threo-pentopyranose((2R,3S,4R,6R)-6-((2R,4R,5S,6R)-2-((2S,3R,4S)-4-((2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxo-1-oxacyclooctadeca-4,6,14,16-tetraen-2-yl)-3-hydroxypentan-2-yl)-2-hydroxy-5-methyl-6-((E)-prop-1-enyl)oxan-4-yl)oxy-4-hydroxy-2-methyloxan-3-yl) carbamate(5R)-3-O-(4-O-carbamoyl-2,6-dideoxy-beta-D-arabino-hexopyranosyl)-2,4-dideoxy-1-C-((2S,3R,4S)-4-((2R,3S,4E,6E,9R,10S,11S,12R,13R,14E,16Z)-11-ethyl-10,12-dihydroxy-3,17-dimethoxy-7,9,13,15-tetramethyl-18-oxooxacyclooctadeca-4,6,14,16-tetraen-2-yl)-3-hydroxypentan-2-yl)-4-methyl-5-((1E)-prop-1-en-1-yl)-alpha-D-threo-pentopyranose
Properties
Computed structural propertiesFilling in
- XLogP
- 6
- Topological polar surface area
- 226 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 12
- Heavy atoms
- 61
- Formal charge
- 0
- Complexity
- 1,580
Experimental & physicochemical properties
DrugsPharmaceuticals -> Antibiotics
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- Hazard Codes
- T+
- Risk Statements
- 26 · 26/27/28-36
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3462 · UN 3462 6.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 9732000 · CB9732000
- F
- 10 · 10-21
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P260, P262, P264, P264+P265, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P320, P321, P330, P337+P317, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationFolimycin: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- F
- 10-21
- wgk
- 3
- rtecs
- CB9732000
- ridadr
- UN 3462 6.1/PG 2
- risk_code
- 26/27/28-36
- hazard_code
- T+
- safety_code
- 26-36/37/39-45
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.
Related reactions
1 records
Compound notes
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