Kahalalide A | CAS#179733-11-0 | antimycobacterial

MedKoo Cat#: 597934 | Name: Kahalalide A

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Kahalalide A has antimycobacterial activity, and is isolated from the mollusk Elysia rufescens.

Chemical Structure

Kahalalide A

CAS#179733-11-0

Theoretical Analysis

MedKoo Cat#: 597934

Name: Kahalalide A

CAS#: 179733-11-0

Chemical Formula: C46H67N7O11

Exact Mass: 893.4899

Molecular Weight: 894.08

Elemental Analysis: C, 61.80; H, 7.55; N, 10.97; O, 19.68

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

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Synonym

Kahalalide A;

IUPAC/Chemical Name

(R)-N-((R)-1-(((3S,6R,9S,12R,15R,18R,19S)-12-benzyl-6-((R)-1-hydroxyethyl)-3-(hydroxymethyl)-9,15-diisobutyl-19-methyl-2,5,8,11,14,17-hexaoxo-1-oxa-4,7,10,13,16-pentaazacyclononadecan-18-yl)amino)-1-oxo-3-phenylpropan-2-yl)-2-methylbutanamide

InChi Key

WEBZVDAMOOBHRC-YRLOSQRISA-N

InChi Code

InChI=1S/C46H67N7O11/c1-9-27(6)39(56)47-35(23-31-18-14-11-15-19-31)43(60)53-38-29(8)64-46(63)36(24-54)51-44(61)37(28(7)55)52-42(59)33(21-26(4)5)48-41(58)34(22-30-16-12-10-13-17-30)49-40(57)32(20-25(2)3)50-45(38)62/h10-19,25-29,32-38,54-55H,9,20-24H2,1-8H3,(H,47,56)(H,48,58)(H,49,57)(H,50,62)(H,51,61)(H,52,59)(H,53,60)/t27-,28-,29+,32-,33+,34-,35-,36+,37-,38-/m1/s1

SMILES Code

O=C(N[C@H](CC(C)C)C(N[C@H](Cc1ccccc1)C(N[C@H]2CC(C)C)=O)=O)[C@H](NC([C@@H](Cc3ccccc3)NC([C@H](C)CC)=O)=O)[C@H](C)OC([C@H](CO)NC([C@@H]([C@@H](C)O)NC2=O)=O)=O

Appearance

Solid powder

Purity

>98% (or refer to the Certificate of Analysis)

Shipping Condition

Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition

Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility

Soluble in DMSO

Shelf Life

>3 years if stored properly

Drug Formulation

This drug may be formulated in DMSO

Stock Solution Storage

0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code

2934.99.03.00

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 894.08 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Concentration / Solvent Volume / Mass	1 mg	5 mg	10 mg
1 mM	1.15 mL	5.76 mL	11.51 mL
5 mM	0.23 mL	1.15 mL	2.3 mL
10 mM	0.12 mL	0.58 mL	1.15 mL
50 mM	0.02 mL	0.12 mL	0.23 mL

1: Bourel-Bonnet L, Rao KV, Hamann MT, Ganesan A. Solid-phase total synthesis of kahalalide A and related analogues. J Med Chem. 2005 Mar 10;48(5):1330-5. PubMed PMID: 15743176; PubMed Central PMCID: PMC4917212. 2: Ganesan A. Solid-phase synthesis in the twenty-first century. Mini Rev Med Chem. 2006 Jan;6(1):3-10. Review. PubMed PMID: 16457628. 3: Gao J, Hamann MT. Chemistry and biology of kahalalides. Chem Rev. 2011 May 11;111(5):3208-35. doi: 10.1021/cr100187n. Epub 2011 Apr 11. Review. PubMed PMID: 21480581; PubMed Central PMCID: PMC4895206.