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 Formule: C₇₂H₁₀₁N₁₇O₂₆ Poids moléculaire: 1620.67 Numéro CE: 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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DISPONIBLE À COMMANDE

QUALITÉ & PURETÉ 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

Fiche de spécifications

Vue d’ensemble Spécifications Propriétés du produit Noms et identifiants Données avancées Taxonomic Classification Cibles associées (humaines) Cibles associées (non humaines) Mécanismes d'action Certificats (CoA, COO, BSE/TSE et tableau d'analyse) Propriétés chimiques et physiques Citations of This Product Calculateurs de solution Avis

Vue d’ensemble

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

Spécifications

Synonymes

Spécifications et pureté

Moligand™, 10mM in DMSO

Mécanismes biochimiques et physiologiques

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

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Propriétés du produit

ALogP

-5.1

Noms et identifiants

Pubchem Sid

528775780

Pubchem Sid Url

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

Sourires canoniques

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

Isomères 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

Poids moléculaire

1620.67

Données avancées

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Classe	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
Description	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

Cibles associées (humaines)

Homo sapiens (32628 Activities)

Sensibilité	Heat sensitive
Poids moléculaire	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

Vue d’ensemble

Spécifications

Données avancées

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