Novobiocin calcium

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

MedKoo CAT#: 573643

CAS#: 4309-70-0 (Ca)

Description: Novobiocin calcium is an antibiotic.

Chemical Structure

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Novobiocin calcium
CAS# 4309-70-0 (Ca)
Instruction

Theoretical Analysis

MedKoo Cat#: 573643
Name: Novobiocin calcium
CAS#: 4309-70-0 (Ca)
Chemical Formula: C62H70CaN4O22
Exact Mass: 1,262.41
Molecular Weight: 1,263.330
Elemental Analysis: C, 58.95; H, 5.59; Ca, 3.17; N, 4.43; O, 27.86

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.

Request quote for custom synthesis

Related CAS #: 303-81-1 (free base)   1476-53-5 (Na)   4309-70-0 (Ca)  

Synonym: Albamycin, Novobiocin calcium

IUPAC/Chemical Name: calcium 7-(((2R,3R,4S,5R)-4-(carbamoyloxy)-3-hydroxy-5-methoxy-6,6-dimethyltetrahydro-2H-pyran-2-yl)oxy)-3-(4-hydroxy-3-(3-methylbut-2-en-1-yl)benzamido)-8-methyl-2-oxo-2H-chromen-4-olate

InChi Key: HEJBMFPJLCJWER-CWPVBXIBSA-L

InChi Code: 1S/2C31H36N2O11.Ca/c2*1-14(2)7-8-16-13-17(9-11-19(16)34)27(37)33-21-22(35)18-10-12-20(15(3)24(18)42-28(21)38)41-29-23(36)25(43-30(32)39)26(40-6)31(4,5)44-29;/h2*7,9-13,23,25-26,29,34-36H,8H2,1-6H3,(H2,32,39)(H,33,37);/q;;+2/p-2/t2*23-,25+,26-,29-;/m11./s1

SMILES Code: [Ca+2].CO[C@@H]1[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc2ccc3C(=C(NC(=O)c4ccc(O)c(CC=C(C)C)c4)C(=O)Oc3c2C)[O-])OC1(C)C.CO[C@@H]5[C@@H](OC(=O)N)[C@@H](O)[C@H](Oc6ccc7C(=C(NC(=O)c8ccc(O)c(CC=C(C)C)c8)C(=O)Oc7c6C)[O-])OC5(C)C

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: 2934.99.9001

More Info:

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
Soluble in DMSO 0.0 100.00

Preparing Stock Solutions

The following data is based on the product molecular weight 1,263.33 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: Mandler MD, Baidin V, Lee J, Pahil KS, Owens TW, Kahne D. Novobiocin Enhances Polymyxin Activity by Stimulating Lipopolysaccharide Transport. J Am Chem Soc. 2018 Jun 6;140(22):6749-6753. doi: 10.1021/jacs.8b02283. Epub 2018 May 16. PubMed PMID: 29746111; PubMed Central PMCID: PMC5990483.

2: May JM, Owens TW, Mandler MD, Simpson BW, Lazarus MB, Sherman DJ, Davis RM, Okuda S, Massefski W, Ruiz N, Kahne D. The Antibiotic Novobiocin Binds and Activates the ATPase That Powers Lipopolysaccharide Transport. J Am Chem Soc. 2017 Dec 6;139(48):17221-17224. doi: 10.1021/jacs.7b07736. Epub 2017 Nov 22. PubMed PMID: 29135241; PubMed Central PMCID: PMC5735422.

3: Dlugosz A, Janecka A. Novobiocin Analogs as Potential Anticancer Agents. Mini Rev Med Chem. 2017;17(9):728-733. doi: 10.2174/1389557516666161223155525. Review. PubMed PMID: 28019639.

4: Chen W, Wang D, Zhou W, Sang H, Liu X, Ge Z, Zhang J, Lan L, Yang CG, Chen H. Novobiocin binding to NalD induces the expression of the MexAB-OprM pump in Pseudomonas aeruginosa. Mol Microbiol. 2016 Jun;100(5):749-58. doi: 10.1111/mmi.13346. Epub 2016 Mar 16. PubMed PMID: 26844397.

5: Audisio D, Methy-Gonnot D, Radanyi C, Renoir JM, Denis S, Sauvage F, Vergnaud-Gauduchon J, Brion JD, Messaoudi S, Alami M. Synthesis and antiproliferative activity of novobiocin analogues as potential hsp90 inhibitors. Eur J Med Chem. 2014 Aug 18;83:498-507. doi: 10.1016/j.ejmech.2014.06.067. Epub 2014 Jun 28. PubMed PMID: 24992077.