Ianthelliformisamine C TFA

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

MedKoo CAT#: 561372

CAS#: 1643593-30-9

Description: Ianthelliformisamine C TFA is an antibiotic enhancer against resistant Gram-negative bacteria.


Chemical Structure

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Ianthelliformisamine C TFA
CAS# 1643593-30-9

Theoretical Analysis

MedKoo Cat#: 561372
Name: Ianthelliformisamine C TFA
CAS#: 1643593-30-9
Chemical Formula: C34H40Br4F6N4O8
Exact Mass:
Molecular Weight: 1066.32
Elemental Analysis: C, 38.30; H, 3.78; Br, 29.97; F, 10.69; N, 5.25; O, 12.00

Size Price Shipping out time Quantity
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Pricing updated 2021-03-05. Prices are subject to change without notice.

Ianthelliformisamine C TFA is not in stock, may be available through custom synthesis. For cost-effective reason, minimum 1 gram order is requested. The product will be characterized by NMR, HPLC and MS analysis. Purity (HPLC) is usually >98%. CoA, QC data, MSDS will be provided when product is successfully made. The estimated lead time is 2-3 months. Please send email to sales@medkoo.com to inquire quote.

Synonym: Ianthelliformisamine C TFA; Ianthelliformisamine-C TFA; IanthelliformisamineC TFA; Ianthelliformisamine C TFA salt;

IUPAC/Chemical Name: (2E,2'E)-N,N'-((butane-1,4-diylbis(azanediyl))bis(propane-3,1-diyl))bis(3-(3,5-dibromo-4-methoxyphenyl)acrylamide) bis(2,2,2-trifluoroacetate)

InChi Key: ITGKGTPPRJVLIB-QZKABRJGSA-N

InChi Code: InChI=1S/C30H38Br4N4O4.2C2HF3O2/c1-41-29-23(31)17-21(18-24(29)32)7-9-27(39)37-15-5-13-35-11-3-4-12-36-14-6-16-38-28(40)10-8-22-19-25(33)30(42-2)26(34)20-22;2*3-2(4,5)1(6)7/h7-10,17-20,35-36H,3-6,11-16H2,1-2H3,(H,37,39)(H,38,40);2*(H,6,7)/b9-7+,10-8+;;

SMILES Code: O=C(NCCCNCCCCNCCCNC(/C=C/C1=CC(Br)=C(OC)C(Br)=C1)=O)/C=C/C2=CC(Br)=C(OC)C(Br)=C2.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

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:
>2 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:
2934.99.9001

Handling Instructions:

Preparing Stock Solutions

The following data is based on the product molecular weight 1066.32 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.

Select a batch to recalculate based on the batch molecular weight:
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

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1: Pieri C, Borselli D, Di Giorgio C, De Méo M, Bolla JM, Vidal N, Combes S, Brunel JM. New Ianthelliformisamine derivatives as antibiotic enhancers against resistant Gram-negative bacteria. J Med Chem. 2014 May 22;57(10):4263-72. doi: 10.1021/jm500194e. Epub 2014 May 13. PubMed PMID: 24801877.

2: Khan FA, Ahmad S, Kodipelli N, Shivange G, Anindya R. Syntheses of a library of molecules on the marine natural product ianthelliformisamines platform and their biological evaluation. Org Biomol Chem. 2014 Jun 21;12(23):3847-65. doi: 10.1039/c3ob42537a. PubMed PMID: 24668192.

3: Xu M, Davis RA, Feng Y, Sykes ML, Shelper T, Avery VM, Camp D, Quinn RJ. Ianthelliformisamines A-C, antibacterial bromotyrosine-derived metabolites from the marine sponge Suberea ianthelliformis. J Nat Prod. 2012 May 25;75(5):1001-5. doi: 10.1021/np300147d. Epub 2012 Apr 19. PubMed PMID: 22515429.