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Micafungin

CAT: 0013-GTR19154240-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154240-01Size:100 mg
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Description
Micafungin, also known as FK463, is a polyene antifungal medication used to treat and prevent invasive fungal infections including candidemia, abscesses and esophageal candidiasis. It inhibits the production of beta-1,3-glucan, an essential component of fungal cell walls. It received final approval from the U.S. Food and Drug Administration (FDA) on March 16, 2005. Micafungin works by way of concentration-dependent inhibition of 1,3-beta-D-glucan synthase resulting in reduced formation of 1,3-beta-D-glucan, which is an essential polysaccharide comprising one-third of the majority of Candida spp. cell walls. This decreased glucan production leads to osmotic instability and thus cellular lysis.
CAS Number
235114-32-6
Field of Research
Pharmacology & Drug Discovery
Purity
>98%
Smiles
CCCCCOC1=CC=C (C2=CC (C3=CC=C (C (N[C@H]4C[C@H] ([C@H] (NC ([C@@H]5[C@H] ([C@H] (CN5C ([C@H] ([C@@H] (CC (N) =O) O) NC ([C@H] ([C@@H] ([C@H] (C6=CC (OS (=O) (O) =O) =C (O) C=C6) O) O) NC ([C@@H]7C[C@H] (CN7C ([C@H] ([C@H] (O) C) NC4=O) =O) O) =O) =O) =O) C) O) =O) O) O) =O) C=C3) =NO2) C=C1
Molecular Formula
C56H71N9O23S
Molecular Weight
1270.27
Notes
For research use only.

Chemical Information

Micafungin

Micafungin is a cyclic hexapeptide echinocandin antibiotic which exerts its effect by inhibiting the synthesis of 1,3-beta-D-glucan, an integral component of the fungal cell wall. It is used as the sodium salt for the treatment of invasive candidiasis, and of aspergillosis in patients who are intolerant of other therapy. It has a role as an antiinfective agent. It is an echinocandin and an antibiotic antifungal drug.

CAS Number235114-32-6
PubChem CID477468
IUPAC Name[5-[(1S,2S)-2-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-18-[[4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-6-yl]-1,2-dihydroxyethyl]-2-hydroxyphenyl] hydrogen sulfate
Molecular FormulaC56H71N9O23S
Molecular Weight1270.3
XLogP-1.6
Topological Polar Surface Area519
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count24
Rotatable Bond Count18
Heavy Atom Count89
Formal Charge0
Complexity2580
SMILES
CCCCCOC1=CC=C(C=C1)C2=CC(=NO2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC(=C(C=C7)O)OS(=O)(=O)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O
InChI
InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)/t25-,26+,31+,34-,35-,37+,38+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1
InChIKey
PIEUQSKUWLMALL-YABMTYFHSA-N
Chemical Structure
2D Structure
2D structure of Micafungin
CAS: 235114-32-6
CID: 477468
Formula: C56H71N9O23S
MW: 1270.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1270.3
XLogP3-1.6
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count24
Rotatable Bond Count18
Exact Mass1269.43835072
Monoisotopic Mass1269.43835072
Topological Polar Surface Area519 Ų
Heavy Atom Count89
Formal Charge0
Complexity2580
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
M044-1MGMicafungin
A3606-10Micafungin sodium
HY-16321-01Micafungin (sodium)
AR-M01764-01Micafungin-d11
CS-O-47368Desmethyl micafungin

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