WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H596655
CAS#: 138661-20-8
Description: L 693989 is a pneumocandin.
Hodoodo Cat#: H596655
Name: L 693989
CAS#: 138661-20-8
Chemical Formula: C50H80N8NaO20P
Exact Mass: 1,166.51
Molecular Weight: 1,167.180
Elemental Analysis: C, 51.45; H, 6.91; N, 9.60; Na, 1.97; O, 27.41; P, 2.65
This product is not in stock, which may be available by custom synthesis.
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Synonym: L 693989; L-693989; L693989; L-693,989; L 693,989; L693,989;
IUPAC/Chemical Name: sodium 4-((1S,2R)-2-((2S,6R,9R,11S,12S,14aR,15R,20S,23S,25aS)-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-9-((10R,12S)-10,12-dimethyltetradecanamido)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-5,8,14,19,22,25-hexaoxotetracosahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosin-23-yl)-1,2-dihydroxyethyl)phenyl hydrogen phosphate
InChi Key: VAHIZUPRWJROTF-RBKNGNFHSA-M
InChi Code: InChI=1S/C50H81N8O20P.Na/c1-5-25(2)20-26(3)12-10-8-6-7-9-11-13-37(65)52-31-22-35(63)46(70)56-48(72)41-33(61)18-19-57(41)50(74)39(34(62)23-36(51)64)54-47(71)40(43(67)42(66)28-14-16-30(17-15-28)78-79(75,76)77)55-45(69)32-21-29(60)24-58(32)49(73)38(27(4)59)53-44(31)68;/h14-17,25-27,29,31-35,38-43,46,59-63,66-67,70H,5-13,18-24H2,1-4H3,(H2,51,64)(H,52,65)(H,53,68)(H,54,71)(H,55,69)(H,56,72)(H2,75,76,77);/q;+1/p-1/t25-,26+,27+,29-,31+,32-,33+,34+,35-,38+,39-,40-,41+,42-,43+,46-;/m0./s1
SMILES Code: O[C@H]1C[C@@H](C(N[C@H](C(N[C@H](C(N2CC[C@H]([C@@H]2C(N[C@H]([C@H](C[C@H](C(N[C@H]([C@H](O)C)C3=O)=O)NC(CCCCCCCC[C@H](C[C@H](CC)C)C)=O)O)O)=O)O)=O)[C@H](O)CC(N)=O)=O)[C@H]([C@H](c4ccc(OP([O-])(O)=O)cc4)O)O)=O)N3C1.[Na+]
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
More Info:
Biological target: | |
In vitro activity: | |
In vivo activity: |
The following data is based on the product molecular weight 1,167.18 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.
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: |
1: Flattery AM, Abruzzo GK, Gill CJ, Smith JG, Bartizal K. New model of oropharyngeal and gastrointestinal colonization by Candida albicans in CD4+ T-cell-deficient mice for evaluation of antifungal agents. Antimicrob Agents Chemother. 1996 Jul;40(7):1604-9. PubMed PMID: 8807048; PubMed Central PMCID: PMC163381.
2: Kurtz MB, Bernard EM, Edwards FF, Marrinan JA, Dropinski J, Douglas CM, Armstrong D. Aerosol and parenteral pneumocandins are effective in a rat model of pulmonary aspergillosis. Antimicrob Agents Chemother. 1995 Aug;39(8):1784-9. PubMed PMID: 7486919; PubMed Central PMCID: PMC162826.
3: Schmatz DM, Powles MA, McFadden D, Nollstadt K, Bouffard FA, Dropinski JF, Liberator P, Andersen J. New semisynthetic pneumocandins with improved efficacies against Pneumocystis carinii in the rat. Antimicrob Agents Chemother. 1995 Jun;39(6):1320-3. PubMed PMID: 7574523; PubMed Central PMCID: PMC162734.
4: Powles MA, McFadden DC, Liberator PA, Anderson JW, Vadas EB, Meisner D, Schmatz DM. Aerosolized L-693,989 for Pneumocystis carinii prophylaxis in rats. Antimicrob Agents Chemother. 1994 Jun;38(6):1397-401. PubMed PMID: 8092844; PubMed Central PMCID: PMC188217.
5: Schmatz DM, Powles MA, McFadden DC, Pittarelli L, Balkovec J, Hammond M, Zambias R, Liberator P, Anderson J. Antipneumocystis activity of water-soluble lipopeptide L-693,989 in rats. Antimicrob Agents Chemother. 1992 Sep;36(9):1964-70. PubMed PMID: 1416888; PubMed Central PMCID: PMC192216.