Rugulotrosin A
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MedKoo CAT#: 574156

CAS#: 685135-81-3

Description: Rugulotrosin A is an antibiotic active against the Gram-positive bacteria E. faecalis, B. cereus, B. subtilis, and S. aureus. Rugulotrosin A is inactive against Gram-negative bacteria.

Chemical Structure

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Rugulotrosin A
CAS# 685135-81-3
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 574156
Name: Rugulotrosin A
CAS#: 685135-81-3
Chemical Formula: C32H30O14
Exact Mass: 638.16
Molecular Weight: 638.580
Elemental Analysis: C, 60.19; H, 4.74; O, 35.08

Price and Availability

Size Price Availability Quantity
1mg USD 330
5mg USD 1125
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Synonym: Rugulotrosin A

IUPAC/Chemical Name: (4R,4'R,4aR,4'aR,7R)-rel-2,2',3,3',4,4',9,9'-octahydro-1,1',4,4',8,8'-hexahydroxy-6,6'-dimethyl-9,9'-dioxo-[7,7'-bi-4aH-xanthene]-4a,4'a-dicarboxylic acid dimethyl ester

InChi Key: NCPFIXCVFFDLAF-UHFFFAOYSA-N

InChi Code: InChI=1S/C32H30O14/c1-11-9-15-21(27(39)23-13(33)5-7-17(35)31(23,45-15)29(41)43-3)25(37)19(11)20-12(2)10-16-22(26(20)38)28(40)24-14(34)6-8-18(36)32(24,46-16)30(42)44-4/h9-10,17-18,33-38H,5-8H2,1-4H3

SMILES Code: O=C1C2=C(C=C(C)C(C3=C(O)C(C(C4=C(O)CCC(O)C4(C(OC)=O)O5)=O)=C5C=C3C)=C2O)OC6(C(OC)=O)C(O)CCC(O)=C61

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: To be determined

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: 2934.99.9001

More Info:

Product Data:
Product Data
Instruction:
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Biological target: Rugulotrosin A is active against the Gram-positive bacteria E. faecalis, B. cereus, B. subtilis, and S. aureus with 99% lethal dose (LD99) values of 1.6, 3.1, 5.5, and 200 μg/ml, respectively.
In vitro activity: Rugulotrosins A and B displayed significant antibacterial activity against Bacillus subtilis, while rugulotrosin A was also strongly active against Enterococcus faecalis and B. cereus. Reference: J Nat Prod. 2004 Apr;67(4):728-30. https://pubmed.ncbi.nlm.nih.gov/15104517/
In vivo activity: To be determined

Preparing Stock Solutions

The following data is based on the product molecular weight 638.58 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.

Recalculate based on batch purity %
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
Formulation protocol: 1. Qin T, Skraba-Joiner SL, Khalil ZG, Johnson RP, Capon RJ, Porco JA Jr. Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer. Nat Chem. 2015 Mar;7(3):234-40. doi: 10.1038/nchem.2173. Epub 2015 Feb 2. PMID: 25698333; PMCID: PMC4339264. 2. Stewart M, Capon RJ, White JM, Lacey E, Tennant S, Gill JH, Shaddock MP. Rugulotrosins A and B: Two new antibacterial metabolites from an Australian isolate of a Penicillium sp. J Nat Prod. 2004 Apr;67(4):728-30. doi: 10.1021/np034038b. PMID: 15104517.
In vitro protocol: 1. Qin T, Skraba-Joiner SL, Khalil ZG, Johnson RP, Capon RJ, Porco JA Jr. Atropselective syntheses of (-) and (+) rugulotrosin A utilizing point-to-axial chirality transfer. Nat Chem. 2015 Mar;7(3):234-40. doi: 10.1038/nchem.2173. Epub 2015 Feb 2. PMID: 25698333; PMCID: PMC4339264. 2. Stewart M, Capon RJ, White JM, Lacey E, Tennant S, Gill JH, Shaddock MP. Rugulotrosins A and B: Two new antibacterial metabolites from an Australian isolate of a Penicillium sp. J Nat Prod. 2004 Apr;67(4):728-30. doi: 10.1021/np034038b. PMID: 15104517.
In vivo protocol: To be determined

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1. Stewart, M., Capon, R.J., White, J.M., et al. Rugulotrosins A and B: Two new antibacterial metabolites from an Australian isolate of a Penicillium sp. J. Nat. Prod. 67(4), 728-730 (2004).

2. Qin, T., Skraba-Joiner, S.L., Khalil, Z.G., et al. Atropselective syntheses of (−) and (+) rugulotrosin A utilizing point-to-axial chirality transfer. Nat. Chem. 7(3), 234-240 (2015).