A54556A , CAS No.95398-45-1

Item Number

A329661

Grouped product items
SKU	Size	Availability	Price	Qty
A329661-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,199.90

a potent antibiotic that is active against Gram positive and Gram negative bacteria

Basic Description

Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads
Product Description	A54556A is an unusual depsipeptide isolated from\|Streptomyces\|sp., featuring a trienone side chain. It is potently active against Gram positive and Gram negative bacteria, including MRSA. A54556A was the original lead structure of the recently re-discovered acyldepsipeptide (ADEP) antibiotics that act by activating and disregulating Clp-family proteins. ADEPs are considered important leads in the development of new generations of antibiotics against resistant bacteria.

Associated Targets(non-human)

Streptococcus pneumoniae (31063 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Neisseria meningitidis (411 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

clpP ATP-dependent Clp protease proteolytic subunit (245 Activities)

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Names and Identifiers

IUPAC Name	(2E,4E,6E)-N-[(2S)-1-oxo-3-phenyl-1-[[(3S,7S,9R,13S,16S,19S)-9,13,16,17-tetramethyl-2,6,12,15,18-pentaoxo-5-oxa-1,11,14,17-tetrazatricyclo[17.3.0.07,11]docosan-3-yl]amino]propan-2-yl]octa-2,4,6-trienamide
INCHI	InChI=1S/C38H50N6O8/c1-6-7-8-9-13-18-32(45)40-28(21-27-15-11-10-12-16-27)34(47)41-29-23-52-38(51)31-20-24(2)22-44(31)35(48)25(3)39-33(46)26(4)42(5)37(50)30-17-14-19-43(30)36(29)49/h6-13,15-16,18,24-26,28-31H,14,17,19-23H2,1-5H3,(H,39,46)(H,40,45)(H,41,47)/b7-6+,9-8+,18-13+/t24-,25+,26+,28+,29+,30+,31+/m1/s1
InChi Key	ZGRSXMWWGUOTAO-VIEJTCJKSA-N
Canonical SMILES	CC=CC=CC=CC(=O)NC(CC1=CC=CC=C1)C(=O)NC2COC(=O)C3CC(CN3C(=O)C(NC(=O)C(N(C(=O)C4CCCN4C2=O)C)C)C)C
Isomeric SMILES	C/C=C/C=C/C=C/C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H]4CCCN4C2=O)C)C)C)C
PubChem CID	24767779
Molecular Weight	718.84

Solubility

Soluble in ethanol, methanol, DMF, DMSO, and aqueous solutions (sparingly).

Refractive Index

n20D1.61 (Predicted)

Boil Point(°C)

~1086.9° C at 760 mmHg (Predicted)

Solution Calculators

Determine the necessary mass, volume, or concentration for preparing a solution.

Determine the dilution needed to prepare a stock solution.

Basic Description