Benastatin B

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MedKoo CAT#: 464791

CAS#: 138968-86-2

Description: Benastatin B is a polyketide synthase-derived benastatin that has been found in Streptomyces and has diverse biological activities. It inhibits glutathione S-transferase (GST; Ki = 3.7 µM for the rat liver enzyme).2 Benastatin B also inhibits the transglycosylase activity of A. baumannii, C. difficile, E. coli, and S. aureus recombinant penicillin-binding proteins (PBPs; IC50s = 16, 53.3, 30.7, and 31.6 µM, respectively).3 It is active against several bacteria, including methicillin-resistant S. aureus (MRSA; MIC = 3.12 µg/ml).

Chemical Structure

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Benastatin B
CAS# 138968-86-2
Instruction

Theoretical Analysis

MedKoo Cat#: 464791
Name: Benastatin B
CAS#: 138968-86-2
Chemical Formula: C30H30O7
Exact Mass: 502.20
Molecular Weight: 502.563
Elemental Analysis: C, 71.70; H, 6.02; O, 22.28

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: Benastatin B; Benastatin-B;

IUPAC/Chemical Name: 1,7,9,11-tetrahydroxy-13,13-dimethyl-8-oxo-3-pentyl-5,6,8,13-tetrahydrobenzo[a]tetracene-2-carboxylic acid

InChi Key: FUKMCLKFEWEFSC-UHFFFAOYSA-N

InChi Code: InChI=1S/C30H30O7/c1-4-5-6-7-14-10-15-8-9-17-18(22(15)27(34)23(14)29(36)37)13-20-25(26(17)33)28(35)24-19(30(20,2)3)11-16(31)12-21(24)32/h10-13,31-34H,4-9H2,1-3H3,(H,36,37)

SMILES Code: O=C(O)C1=C(C=C2CCC3=C(O)C4=C(C(C)(C5=C(C4=O)C(O)=CC(O)=C5)C)C=C3C2=C1O)CCCCC

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: >2 years if stored properly

Drug Formulation: To be determined

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 502.56 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:
In vitro protocol:
In vivo protocol:

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1: Lackner G, Schenk A, Xu Z, Reinhardt K, Yunt ZS, Piel J, Hertweck C. Biosynthesis of pentangular polyphenols: deductions from the benastatin and griseorhodin pathways. J Am Chem Soc. 2007 Aug 1;129(30):9306-12. doi: 10.1021/ja0718624. Epub 2007 Jul 11. PMID: 17625850.

2: Xu Z, Schenk A, Hertweck C. Molecular analysis of the benastatin biosynthetic pathway and genetic engineering of altered fatty acid-polyketide hybrids. J Am Chem Soc. 2007 May 9;129(18):6022-30. doi: 10.1021/ja069045b. Epub 2007 Apr 17. PMID: 17439117.

3: Aoyama T, Kojima F, Yamazaki T, Tatee T, Abe F, Muraoka Y, Naganawa H, Aoyagi T, Takeuchi T. Benastatins C and D, new inhibitors of glutathione S-transferase, produced by Streptomyces sp. MI384-DF12. Production, isolation, structure determination and biological activities. J Antibiot (Tokyo). 1993 May;46(5):712-8. doi: 10.7164/antibiotics.46.712. PMID: 8514625.

4: Aoyama T, Naganawa H, Muraoka Y, Nakamura H, Aoyagi T, Takeuchi T, Iitaka Y. Benastatins A and B, new inhibitors of glutathione S-transferase, produced by Streptomyces sp. MI384-DF12. II. Structure determination of benastatins A and B. J Antibiot (Tokyo). 1992 Sep;45(9):1391-6. doi: 10.7164/antibiotics.45.1391. Erratum in: J Antibiot (Tokyo) 1992 Nov;45(11):C6-7. PMID: 1429223.

5: Aoyagi T, Aoyama T, Kojima F, Matsuda N, Maruyama M, Hamada M, Takeuchi T. Benastatins A and B, new inhibitors of glutathione S-transferase, produced by Streptomyces sp. MI384-DF12. I. Taxonomy, production, isolation, physico- chemical properties and biological activities. J Antibiot (Tokyo). 1992 Sep;45(9):1385-90. doi: 10.7164/antibiotics.45.1385. PMID: 1429222.