Platensimycin
Also known as (-)-Platensimycin, 3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acid, Benzoic acid, 3-((3-((1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl)-1-oxopropyl)amino)-2,4-dihydroxy-
Key facts
What buyers check first
- CAS number
- 835876-32-9
- Formula
- C24H27NO7
- Molar mass
- 441.48 g/mol
- HS code
- 293299
- Category
- Heterocyclic compounds
What is Platensimycin?
Plain description, key identifiers and synonyms
Platensimycin is a monocarboxylic acid amide obtained by the formal condensation of the amino group of 3-amino-2,4-dihydroxybenzoic acid with the carboxy group of the oxatetracyclic cage component. It is an antibiotic isolated from Streptomyces platensis and exhibits inhibitory activity against fatty acid synthase. It has a role as an antimicrobial agent, an antibacterial agent, an EC 2.3.1.85 (fatty acid synthase) inhibitor and a bacterial metabolite. It is a dihydroxybenzoic acid, a monocarboxylic acid amide, a polycyclic cage, a cyclic ether, a cyclic ketone and an aromatic amide. It is a conjugate acid of a platensimycin(1-).
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acid
- CAS number
- 835876-32-9 CAS number cross-checked
- Molecular formula
- C24H27NO7
- UNII
- Q3DQ78KOFY
- InChIKey
- CSOMAHTTWTVBFL-OFBLZTNGSA-N
- InChI
- InChI=1S/C24H27NO7/c1-22(7-6-17(28)25-18-14(26)4-3-13(19(18)29)21(30)31)16(27)5-8-24-10-12-9-15(20(22)24)32-23(12,2)11-24/h3-5,8,12,15,20,26,29H,6-7,9-11H2,1-2H3,(H,25,28)(H,30,31)/t12-,15+,20+,22-,23+,24+/m1/s1
- Canonical SMILES
- CC12CC34C=CC(=O)C(C)(CCC(=O)Nc5c(O)ccc(C(=O)O)c5O)C3C(CC1C4)O2
- Isomeric SMILES
- C[C@]12C[C@]34C[C@H]1C[C@@H]([C@H]3[C@](C(=O)C=C4)(C)CCC(=O)NC5=C(C=CC(=C5O)C(=O)O)O)O2
Synonyms
- (-)-Platensimycin
- 3-[3-[(1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo[7.2.1.17,10.01,6]tridec-2-en-5-yl]propanoylamino]-2,4-dihydroxybenzoic acid
- Benzoic acid, 3-((3-((1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl)-1-oxopropyl)amino)-2,4-dihydroxy-
- 3-((3-((1S,3S,4S,5as,9S,9ar)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl)-1-oxopropyl)amino)-2,4-dihydroxybenzoic acid
- 3-(3-((1S,5S,6R,7S,9S,10S)-5,9-dimethyl-4-oxo-8-oxatetracyclo(7.2.1.17,10.01,6)tridec-2-en-5-yl)propanoylamino)-2,4-dihydroxybenzoic acid
- PMN
- 3-({3-[(1S,4aS,6S,7S,9S,9aR)-1,6-dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanoyl}amino)-2,4-dihydroxybenzoic acid
- Platensimycin, (-)-
- 3-{3-[(1S,4aS,6S,7S,9S,9aR)-1,6-Dimethyl-2-oxo-1,2,5,6,7,8,9,9a-octahydro-6,9-epoxy-4a,7-methanobenzo[7]annulen-1-yl]propanamido}-2,4-dihydroxybenzoic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 441.48 g/molcalc.Computed value |
|---|---|
| Exact mass | 441.1788 Dacalc.Computed value |
| LogP (octanol/water) | 3.23calc.Computed value |
| Topological polar surface area | 133.2 Ųcalc.Computed value |
| Hydrogen bond donors | 4calc.Computed value |
| Hydrogen bond acceptors | 6calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 32calc.Computed value |
| Rings | 6calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.54calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 6calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Platensimycin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Australia, SmithfieldUnclaimed profilePlatensimycinGrade, purity and minimum order on requestPrice on request
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Platensimycin price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Pharmacological actions
- Anti-Infective Agents
- Fatty Acid Synthesis Inhibitors
Roles
- antibacterial agent
- antimicrobial agent
- bacterial metabolite
- enzyme inhibitor
- metabolite
- prokaryotic metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Platensimycin is traded under.
Heterocyclic compounds with oxygen hetero-atom(s) only, other
- China28.9%
- Switzerland * partner reported12.7%
- Germany7.8%
- United States49.7%
- China11.9%
- India * partner reported3.3%
* Partner reported figures, a lower bound.
The HS code shown for Platensimycin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Platensimycin, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Platensimycin
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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