3-Formylrifamycin - ≥98% , CAS No.13292-22-3

CAS: 13292-22-3 Cat. No.: F276139 Molecular Weight: 725.78 EC Number: 236-311-5 PubChem CID: 6438444

GRADE & PURITY ≥98%

Synonyms

UNII-C87UV623UL | (7S,11S,13S,17S,18S,12R,14R,15R,16R)-26-formyl-2,15,17,27,29-pentahydroxy-11-m ethoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[2 3.3.1.1<4,7>.0<5,28>]triaconta-1(28),2,4,9,19,21,25(29),26-octaen-13-yl acetat

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Store at Room Temperature. The product can be stored for up to 12 months.

Specifications

Synonyms

UNII-C87UV623UL | (7S, 11S, 13S, 17S, 18S, 12R, 14R, 15R, 16R)-26-formyl-2, 15, 17, 27, 29-pentahydroxy-11-m ethoxy-3, 7, 12, 14, 16, 18, 22-heptamethyl-6, 23-dioxo-8, 30-dioxa-24-azatetracyclo[2 3.3.1.1<4, 7>.0<5, 28>]triaconta-1(28), 2, 4, 9, 19, 21, 25(29), 26-octaen-13-yl acetat

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Rifamycin derivative antibiotic. Interacts with biological membranes. Alters permeability to K + and H + in the mitochondrial membrane.Orally active.

Storage

Store at -20°C

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.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504764182
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764182
• Canonical Smiles: CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=O)C
• IUPAC Name: [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-26-formyl-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23-dioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(29),2,4,9,19,21,25,27-octaen-13-yl] acetate
• InChIKey: BBNQHOMJRFAQBN-UPZFVJMDSA-N
• INCHI: 1S/C38H47NO13/c1-16-11-10-12-17(2)37(48)39-28-23(15-40)32(45)25-26(33(28)46)31(44)21(6)35-27(25)36(47)38(8,52-35)50-14-13-24(49-9)18(3)34(51-22(7)41)20(5)30(43)19(4)29(16)42/h10-16,18-20,24,29-30,34,42-46H,1-9H3,(H,39,48)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,24-,29-,30+,34+,38-/m0/s1
• Isomeric SMILES: C[C@H]1/C=C/C=C(\C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=O)/C
• PubChem CID: 6438444
• Molecular Weight: 725.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Macrolactams

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Class: Macrolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Macrolactams
• Alternative Parents: Naphthofurans Naphthols and derivatives Benzofurans Coumarans Aryl alkyl ketones Hydroquinones Aryl-aldehydes Ketals Vinylogous amides Vinylogous acids Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Lactams Polyols Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organic oxides Organopnictogen compounds Hydrocarbon derivatives Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthofuran - Macrolactam - 1-naphthol - Naphthalene - Benzofuran - Coumaran - Aryl ketone - Aryl alkyl ketone - Hydroquinone - Ketal - Aryl-aldehyde - Benzenoid - Vinylogous amide - Vinylogous acid - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Ketone - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Polyol - Aldehyde - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alcohol - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Pseudomonas aeruginosa (123386 Activities)

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Staphylococcus aureus (210822 Activities)

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Staphylococcus epidermidis (22802 Activities)

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Escherichia coli (133304 Activities)

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Mycobacterium tuberculosis (203094 Activities)

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Enterococcus faecalis (29875 Activities)

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Mycobacterium tuberculosis variant bovis (1746 Activities)

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Candida albicans (78123 Activities)

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Trichophyton rubrum (3646 Activities)

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Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 725.800 g/mol
• XLogP3: 4.900
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 13
• Rotatable Bond Count: 4
• Exact Mass: 725.305 Da
• Monoisotopic Mass: 725.305 Da
• Topological Polar Surface Area: 218.000 Ų
• Heavy Atom Count: 52
• Formal Charge: 0
• Complexity: 1410.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1