Daptomycin - Moligand™, 10mM in DMSO , CAS No.103060-53-3

Name: Daptomycin - Moligand™, 10mM in DMSO , CAS No.103060-53-3
Brand: Aladdin Scientific
SKU: D420399
Availability: InStock

CAS: 103060-53-3 Cat. No.: D420399 Fórmula: C₇₂H₁₀₁N₁₇O₂₆ Peso molecular: 1620.67 Número EC: 600-389-2 PubChem CID: 16134395

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Daptomycin - Moligand™, 10mM in DMSO CAS No(103060-53-3) by Aladdin Scientific

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CALIDAD & PUREZA Moligand™ ? 10mM in DMSO

Synonyms

N-decanoyl-L-tryptophyl-L-asparaginyl-N-[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-ox|(3S)-3-{[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-Aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonaa|N-decanoyl-L-tryptophyl-L-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine epsilon(1)-lactone|(2S)-daptomycin|LY 146032|Cubicin|N-decanoyl-L-tryptophyl-L-asparaginyl-L-aspartyl-L-threonylglycyl-L-ornithyl-L-aspartyl-D-alanyl-L-aspartylglycyl-D-seryl-threo-3-methyl-L-glutamyl-3-anthraniloyl-L-alanine 1.13-3.4-lactone|DAPTOMYCIN|LY146032

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Hoja de especificaciones

Descripción general Especificaciones Propiedades del producto Nombres e identificadores Datos avanzados Taxonomic Classification Objetivos asociados (humanos) Objetivos asociados (no humanos) Mecanismos de acción Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Citations of This Product Calculadoras de soluciones Reseñas

Descripción general

Daptomycin is a novel antibiotic with rapid in vitro bactericidal activity against gram-positive organisms.
Calcium-dependent lipopeptide antibiotic.

Especificaciones

Sinónimos

Especificaciones y pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos y fisiológicos

Daptomycin is a lipopeptide antibiotic produced by Streptomyces roseosporus with reported in vitro bactericidal activity against gram-positive organisms. As a calcium-dependent antibiotic, Daptomycin has been reported to act on the cytoplasmic membrane an

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Propiedades del producto

ALogP

-5.1

Nombres e identificadores

Pubchem Sid

528775780

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528775780

Sonrisas canónicas

CCCCCCCCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC3C(OC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)C(C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C

IUPAC Name

(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-(decanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31R)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-[(2R)-1-carboxypropan-2-yl]-9-(hydroxymethyl)-18,31-dimethyl-2,5,8,11,14,17,20,23,26,29-decaoxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriacont-30-yl]amino]-4-oxobutanoic acid

InChIKey

DOAKLVKFURWEDJ-RWDRXURGSA-N

INCHI

1S/C72H101N17O26/c1-5-6-7-8-9-10-11-22-53(93)81-44(25-38-31-76-42-20-15-13-17-39(38)42)66(108)84-45(27-52(75)92)67(109)86-48(30-59(102)103)68(110)89-61-37(4)115-72(114)49(26-51(91)40-18-12-14-19-41(40)74)87-71(113)60(35(2)24-56(96)97)88-69(111)50(34-90)82-55(95)32-77-63(105)46(28-57(98)99)83-62(104)36(3)79-65(107)47(29-58(100)101)85-64(106)43(21-16-23-73)80-54(94)33-78-70(61)112/h12-15,17-20,31,35-37,43-50,60-61,76,90H,5-11,16,21-30,32-34,73-74H2,1-4H3,(H2,75,92)(H,77,105)(H,78,112)(H,79,107)(H,80,94)(H,81,93)(H,82,95)(H,83,104)(H,84,108)(H,85,106)(H,86,109)(H,87,113)(H,88,111)(H,89,110)(H,96,97)(H,98,99)(H,100,101)(H,102,103)/t35-,36-,37-,43+,44+,45+,46+,47+,48+,49+,50-,60+,61+/m1/s1

Isómeros SMILES

CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]3[C@H](OC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC3=O)CCCN)CC(=O)O)C)CC(=O)O)CO)[C@H](C)CC(=O)O)CC(=O)C4=CC=CC=C4N)C

PubChem CID

16134395

Peso molecular

1620.67

Datos avanzados

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Clase Peptidomimetics
    - Subclass Depsipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Clase	Peptidomimetics
Subclass	Depsipeptides
Intermediate Tree Nodes	Not available
Direct Parent	Cyclic depsipeptides
Alternative Parents	Pentacarboxylic acids and derivatives Alkyl-phenylketones Alpha amino acid esters Macrolides and analogues Macrolactams 3-alkylindoles Aniline and substituted anilines Aryl alkyl ketones Benzoyl derivatives Substituted pyrroles Vinylogous amides Heteroaromatic compounds Cyclic carboximidic acids Amino acids Lactones Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Polyols Oxacyclic compounds Azacyclic compounds Carboxylic acids Organic oxides Primary alcohols Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Cyclic depsipeptide - Pentacarboxylic acid or derivatives - Alpha-amino acid ester - Alkyl-phenylketone - Macrolide - Macrolactam - Alpha-amino acid or derivatives - 3-alkylindole - Phenylketone - Indole - Indole or derivatives - Aniline or substituted anilines - Aryl alkyl ketone - Aryl ketone - Benzoyl - Substituted pyrrole - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Cyclic carboximidic acid - Pyrrole - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Amino acid - Ketone - Lactone - Propargyl-type 1,3-dipolar organic compound - Polyol - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Carboximidic acid - Carboximidic acid derivative - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alcohol - Carbonyl group - Organic oxide - Organopnictogen compound - Primary aliphatic amine - Organonitrogen compound - Primary alcohol - Primary amine - Aromatic heteropolycyclic compound
Descripción	This compound belongs to the class of organic compounds known as cyclic depsipeptides. These are natural or synthetic compounds having sequences of amino and hydroxy carboxylic acid residues (usually α-amino and α-hydroxy acids) connected in a ring. The residues are commonly but not necessarily regularly alternating.
External Descriptors	lipopeptide - heterodetic cyclic peptide - macrolide - macrocycle - lipopeptide antibiotic
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

Objetivos asociados (humanos)

Homo sapiens (32628 Activities)

Sensibilidad	Heat sensitive
Peso molecular	1620.700 g/mol
XLogP3	-5.100
Hydrogen Bond Donor Count	22
Hydrogen Bond Acceptor Count	28
Rotatable Bond Count	35
Exact Mass	1619.71 Da
Monoisotopic Mass	1619.71 Da
Topological Polar Surface Area	702.000 Å²
Heavy Atom Count	115
Formal Charge	0
Complexity	3480.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
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

Daptomycin - Moligand™, 10mM in DMSO , CAS No.103060-53-3

Descripción general

Especificaciones

Datos avanzados

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