Rifamycin S - 10mM in DMSO , CAS No.13553-79-2

CAS: 13553-79-2 Cat. No.: R421352 Formula: C₃₇H₄₅NO₁₂ Peso molecolare: 695.76 Numero EC: 236-938-4 PubChem CID: 6436726

GRADE & PURITY 10mM in DMSO

Synonyms

Rifamycin S|13553-79-2|Rifomycin S|Rifampicin S|NCI 144-130|Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-|PI53N820JV|CHEBI:34948|1,4-Dideoxy-1,4-dihydro-1,4-dioxorifamycin|Rafamycin S|EINECS 236-938-4|NSC 144130|BRN 0604802|UNII-PI53N820JV|rifamycin-S|NSC

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Rifamycin S is a quinone and an antibiotic agnet against Gram-positive bacteria (including MRSA). Rifamycin S is the oxidized forms of a reversible oxidation-reduction system involving two electrons. Rifamycin S generates reactive oxygen species (ROS) and inhibits microsomal lipid peroxidation. Rifamycin S can be used for tuberculosis and leprosy.

Specifications

Sinonimi

Rifamycin S | 13553-79-2 | Rifomycin S | Rifampicin S | NCI 144-130 | Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo- | PI53N820JV | CHEBI:34948 | 1,4-Dideoxy-1,4-dihydro-1,4-dioxorifamycin | Rafamycin S | EINECS 236-938-4 | NSC 144130 | BRN 0604802 | UNII-PI53N820JV | rifamycin-S | NSC

Specifiche e purezza

10mM in DMSO

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

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Nomi e identificatori

Pubchem Sid

528770149

Sorrisi canonici

CC1C=CC=C(C(=O)NC2=CC(=O)C3=C(C2=O)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)C

IUPAC Name

[(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17-trihydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-6,23,27,29-tetraoxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25-heptaen-13-yl] acetate

InChIKey

BTVYFIMKUHNOBZ-ODRIEIDWSA-N

INCHI

1S/C37H45NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-16,18-20,25,29-30,33,41-43H,1-9H3,(H,38,46)/b11-10+,14-13+,17-12-/t16-,18+,19+,20+,25-,29-,30+,33+,37-/m0/s1

Isomeri SMILES

C[C@H]1/C=C/C=C(\C(=O)NC2=CC(=O)C3=C(C2=O)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)/C

PubChem CID

6436726

Peso molecolare

695.76

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Macrolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Macrolactams
• Alternative Parents: Naphthofurans Naphthoquinones Benzofurans Coumarans Quinones Aryl alkyl ketones Ketals Vinylogous amides Vinylogous acids Secondary carboxylic acid amides Secondary alcohols Carboxylic acid esters Lactams Polyols Azacyclic compounds Oxacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Naphthofuran - Macrolactam - Naphthoquinone - Naphthalene - Benzofuran - Coumaran - Aryl alkyl ketone - Aryl ketone - Quinone - Ketal - Benzenoid - Vinylogous amide - Vinylogous acid - Lactam - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Ketone - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Polyol - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Alcohol - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
• Descrizione: 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: Ansamycins and related polyketides

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

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: heat sensitive
• Rotazione specifica [α]: 476° (C=0.1,MeOH)
• Punto di fusione (°C): 201 °C
• Peso molecolare: 695.800 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 3
• Exact Mass: 695.294 Da
• Monoisotopic Mass: 695.294 Da
• Topological Polar Surface Area: 195.000 Ų
• Heavy Atom Count: 50
• Formal Charge: 0
• Complexity: 1480.000
• 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