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MedKoo Cat#: 574320 | Name: FR179642 hydrate
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Description:

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

FR179642 is the cyclic peptide nucleus of the lipopeptide antifungal FR901379 and an intermediate in the synthesis of the echinocandin antifungal FK463.

Chemical Structure

FR179642 hydrate
FR179642 hydrate
CAS#1392483-15-6 (hydrate)

Theoretical Analysis

MedKoo Cat#: 574320

Name: FR179642 hydrate

CAS#: 1392483-15-6 (hydrate)

Chemical Formula: C35H54N8O21S

Exact Mass: 954.3124

Molecular Weight: 954.91

Elemental Analysis: C, 44.02; H, 5.70; N, 11.73; O, 35.18; S, 3.36

Price and Availability

Size Price Availability Quantity
5mg USD 350.00 2 Weeks
10mg USD 625.00 2 Weeks
25mg USD 950.00 2 Weeks
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Related CAS #
168110-44-9 (free) 1392483-15-6 (hydrate)
Synonym
FR179642 hydrate; FR179642 ; FR-179642; FR 179642
IUPAC/Chemical Name
5-((1S,2S)-2-((2R,6S,9S,11R,12R,14aS,15S,16S,20S,23S,25aS)-9-amino-20-((R)-3-amino-1-hydroxy-3-oxopropyl)-2,11,12,15-tetrahydroxy-6-((R)-1-hydroxyethyl)-16-methyl-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)-2-hydroxyphenyl hydrogen sulfate hydrate
InChi Key
NRZYGLYWNMDXAW-IOAKHOJDSA-N
InChi Code
InChI=1S/C35H52N8O20S.H2O/c1-11-9-43-25(26(11)50)33(57)41-31(55)19(48)7-15(36)29(53)38-22(12(2)44)34(58)42-10-14(45)6-16(42)30(54)40-24(32(56)39-23(35(43)59)18(47)8-21(37)49)28(52)27(51)13-3-4-17(46)20(5-13)63-64(60,61)62;/h3-5,11-12,14-16,18-19,22-28,31,44-48,50-52,55H,6-10,36H2,1-2H3,(H2,37,49)(H,38,53)(H,39,56)(H,40,54)(H,41,57)(H,60,61,62);
SMILES Code
O=C(N[C@]([C@H](O)CC(N)=O)([H])C(N1[C@@](C(N[C@H](O)[C@H](O)C[C@@H]2N)=O)([H])[C@@H](O)[C@@H](C)C1)=O)[C@@]([C@H](O)[C@@H](O)C3=CC=C(O)C(OS(O)(=O)=O)=C3)([H])NC([C@@]4([H])N(C([C@@]([C@H](O)C)([H])NC2=O)=O)C[C@H](O)C4)=O.O
Appearance
Solid powder
Purity
>95% (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 954.91 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. Tomishima, M., Ohki, H., Yamada, A., et al. FK463, a novel water-soluble echinocandin lipopeptide: Synthesis and antifungal activity. J. Antibiot. (Tokyo) 52(7), 674-676 (1999). 2. Ueda, S., Shibata, T., Ito, K., et al. Cloning and expression of the FR901379 acylase gene from Streptomyces sp. no. 6907. J. Antibiot. (Tokyo) 64(2), 169-175 (2011).

View History

AZD4144

AZD4144