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beta-Rubromycin - ≥98%, high purity , CAS No.27267-70-5
Antibiotic agent. Selective, reversible HIV-1 reverse transcriptase inhibitor. Telomerase inhibitor.
Basic Description
Synonyms
DTXSID30181715 | HY-122482 | methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate | HB3798 | Spiro(benzo(1,2-b:5,4-c')dipyran-2(3H),2'(3'H)-naphtho(1,2-b)furan)-7-car
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Antibiotic agent. Selective, reversible HIV-1 reverse transcriptase inhibitor. Shows equipotent template-primer competitive, TTP non-competitive RT inhibition as γ-rubromycin. Telomerase inhibitor (IC 50 = 1.3 μM, human telomerase).
Storage Temp
Store at -20°C,Desiccated
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Note
Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.
Product Description
Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
Pyranochromenes
Alternative Parents
Naphthofurans Naphthoquinones Isocoumarins and derivatives 2-benzopyrans Quinones Anisoles Aryl ketones Pyranones and derivatives 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Ketals Vinylogous esters Vinylogous acids Methyl esters Heteroaromatic compounds Dihydrofurans Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Aldehydes Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyranochromene - Naphthofuran - Naphthoquinone - Isocoumarin - Naphthalene - 2-benzopyran - Anisole - Aryl ketone - Quinone - 1-hydroxy-4-unsubstituted benzenoid - Alkyl aryl ether - Ketal - Pyranone - Benzenoid - Pyran - Dihydrofuran - Heteroaromatic compound - Vinylogous ester - Vinylogous acid - Methyl ester - Lactone - Ketone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Ether - Acetal - Carboxylic acid derivative - Oxacycle - Aldehyde - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyranochromenes. These are organic heterocyclic compounds containing a pyran ring fused to a chromene (1-benzopyran) moiety.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
methyl (2S)-8',10-dihydroxy-5',7'-dimethoxy-4',9,9'-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
INCHI
InChI=1S/C27H20O12/c1-34-13-8-14(35-2)20(29)18-17(13)19(28)12-9-27(39-24(12)22(18)31)5-4-10-6-11-7-15(25(32)36-3)37-26(33)16(11)21(30)23(10)38-27/h6-8,29-30H,4-5,9H2,1-3H3/t27-/m0/s1
InChIKey
FXCBZGHGMRSWJD-MHZLTWQESA-N
Smiles
COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)OC4(C3)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)OC
Isomeric SMILES
COC1=CC(=C(C2=C1C(=O)C3=C(C2=O)O[C@]4(C3)CCC5=C(O4)C(=C6C(=C5)C=C(OC6=O)C(=O)OC)O)O)OC
PubChem CID
5464074
Molecular Weight
536.44
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
536.400 g/mol
XLogP3
4.100
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
12
Rotatable Bond Count
4
Exact Mass
536.095 Da
Monoisotopic Mass
536.095 Da
Topological Polar Surface Area
164.000 Ų
Heavy Atom Count
39
Formal Charge
0
Complexity
1170.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
1
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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