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MedKoo Cat#: 463391 | Name: Mulundocandin

Description:

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

Mulundocandin is a lipopeptide antibiotic.

Chemical Structure

Mulundocandin
Mulundocandin
CAS#108351-20-8

Theoretical Analysis

MedKoo Cat#: 463391

Name: Mulundocandin

CAS#: 108351-20-8

Chemical Formula: C48H77N7O16

Exact Mass: 1007.5427

Molecular Weight: 1008.18

Elemental Analysis: C, 57.19; H, 7.70; N, 9.73; O, 25.39

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Mulundocandin;
IUPAC/Chemical Name
N-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-23-((1S)-1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-20-(hydroxymethyl)-16-methyl-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-9-yl)-12-methyltetradecanamide
InChi Key
WUPSJTQKGFMDON-FUMJLYDLSA-N
InChi Code
InChI=1S/C48H77N7O16/c1-5-25(2)14-12-10-8-6-7-9-11-13-15-35(61)49-31-21-34(60)44(67)53-46(69)38-39(62)26(3)22-55(38)47(70)32(24-56)50-45(68)37(41(64)40(63)28-16-18-29(58)19-17-28)52-43(66)33-20-30(59)23-54(33)48(71)36(27(4)57)51-42(31)65/h16-19,25-27,30-34,36-41,44,56-60,62-64,67H,5-15,20-24H2,1-4H3,(H,49,61)(H,50,68)(H,51,65)(H,52,66)(H,53,69)/t25?,26-,27+,30+,31-,32-,33-,34+,36-,37-,38-,39-,40?,41-,44+/m0/s1
SMILES Code
CCC(CCCCCCCCCCC(N[C@H]1C[C@H]([C@H](NC([C@@H]2[C@H]([C@H](CN2C([C@@H](NC([C@H]([C@@H](C(c3ccc(O)cc3)O)O)NC([C@@H]4C[C@H](CN4C([C@H]([C@H](O)C)NC1=O)=O)O)=O)=O)CO)=O)C)O)=O)O)O)=O)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

Preparing Stock Solutions

The following data is based on the product molecular weight 1,008.18 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
1: Bills GF, Yue Q, Chen L, Li Y, An Z, Frisvad JC. Aspergillus mulundensis sp. nov., a new species for the fungus producing the antifungal echinocandin lipopeptides, mulundocandins. J Antibiot (Tokyo). 2016 Mar;69(3):141-8. doi: 10.1038/ja.2015.105. Epub 2015 Oct 14. PMID: 26464011. 2: Baldwin KD, Ohman-Strickland P, Mehta S, Hume E. Scapula fractures: a marker for concomitant injury? A retrospective review of data in the National Trauma Database. J Trauma. 2008 Aug;65(2):430-5. doi: 10.1097/TA.0b013e31817fd928. PMID: 18695481. 3: Witkop CT, Zhang J, Sun W, Troendle J. Natural history of fetal position during pregnancy and risk of nonvertex delivery. Obstet Gynecol. 2008 Apr;111(4):875-80. doi: 10.1097/AOG.0b013e318168576d. PMID: 18378746. 4: Romero M, Cantón E, Pemán J, Gobernado M. Antifúngicos inhibidores de la síntesis del glucano [Antifungal inhibitors of glucan synthesis]. Rev Esp Quimioter. 2005 Dec;18(4):281-99. Spanish. PMID: 16446788. 5: Lal B, Gund VG, Bhise NB, Gangopadhyay AK. Mannich reaction: an approach for the synthesis of water soluble mulundocandin analogues. Bioorg Med Chem. 2004 Apr 1;12(7):1751-68. doi: 10.1016/j.bmc.2004.01.015. PMID: 15028266. 6: Lal B, Gund VG. Approaches towards the stabilization of hemiaminal function at ornithine unit of mulundocandin. Bioorg Med Chem Lett. 2004 Mar 8;14(5):1123-8. doi: 10.1016/j.bmcl.2003.12.084. PMID: 14980649. 7: Lal B, Gund VG, Gangopadhyay AK, Nadkarni SR, Dikshit V, Chatterjee DK, Shirvaikar R. Semisynthetic modifications of hemiaminal function at ornithine unit of mulundocandin, towards chemical stability and antifungal activity. Bioorg Med Chem. 2003 Nov 17;11(23):5189-98. doi: 10.1016/j.bmc.2003.08.003. PMID: 14604682. 8: Bruneau JM, Maillet I, Tagat E, Legrand R, Supatto F, Fudali C, Caer JP, Labas V, Lecaque D, Hodgson J. Drug induced proteome changes in Candida albicans: comparison of the effect of beta(1,3) glucan synthase inhibitors and two triazoles, fluconazole and itraconazole. Proteomics. 2003 Mar;3(3):325-36. doi: 10.1002/pmic.200390046. PMID: 12627386. 9: Schmitt EK, Eilinghoff B, Olliger R, Decker H, Kück U. Development of molecular tools for the mulundocandin producer Aspergillus sydowii: DNA-mediated transformation and reporter gene expression. Appl Microbiol Biotechnol. 2002 Apr;58(5):625-31. doi: 10.1007/s00253-001-0906-3. Epub 2002 Jan 16. PMID: 11956745. 10: Hawser SP, Jessup C, Vitullo J, Ghannoum MA. Utility of 2,3-bis(2-methoxy-4-nitro-5-sulfophenyl)-5-[(phenyl- amino)carbonyl]-2H-tetrazolium hydroxide (XTT) and minimum effective concentration assays in the determination of antifungal susceptibility of Aspergillus fumigatus to the lipopeptide class compounds. J Clin Microbiol. 2001 Jul;39(7):2738-41. doi: 10.1128/JCM.39.7.2738-2741.2001. PMID: 11427611; PMCID: PMC88227. 11: Hawser S, Borgonovi M, Markus A, Isert D. Mulundocandin, an echinocandin- like lipopeptide antifungal agent: biological activities in vitro. J Antibiot (Tokyo). 1999 Mar;52(3):305-10. doi: 10.7164/antibiotics.52.305. PMID: 10348047. 12: Hawser S, Islam K. Comparisons of the effects of fungicidal and fungistatic antifungal agents on the morphogenetic transformation of Candida albicans. J Antimicrob Chemother. 1999 Mar;43(3):411-3. doi: 10.1093/jac/43.3.411. PMID: 10223599. 13: Mukhopadhyay T, Roy K, Bhat RG, Sawant SN, Blumbach J, Ganguli BN, Fehlhaber HW, Kogler H. Deoxymulundocandin--a new echinocandin type antifungal antibiotic. J Antibiot (Tokyo). 1992 May;45(5):618-23. doi: 10.7164/antibiotics.45.618. PMID: 1624363. 14: Mukhopadhyay T, Ganguli BN, Fehlhaber HW, Kogler H, Vertesy L. Mulundocandin, a new lipopeptide antibiotic. II. Structure elucidation. J Antibiot (Tokyo). 1987 Mar;40(3):281-9. doi: 10.7164/antibiotics.40.281. PMID: 3570980. 15: Roy K, Mukhopadhyay T, Reddy GC, Desikan KR, Ganguli BN. Mulundocandin, a new lipopeptide antibiotic. I. Taxonomy, fermentation, isolation and characterization. J Antibiot (Tokyo). 1987 Mar;40(3):275-80. doi: 10.7164/antibiotics.40.275. PMID: 3570979.