WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 597934
Description: Kahalalide A has antimycobacterial activity, and is isolated from the mollusk Elysia rufescens.
MedKoo Cat#: 597934
Name: Kahalalide A
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
This product is not in stock, which may be available by custom synthesis.
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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
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.