Products for Research Use Only
RegisterLogin

Micafungin metabolite M1

CAT: 0804-HY-P10916Size: 1 EachDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-P10916Size:1 Each
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Micafungin metabolite M1 is an active metabolite of Micafungin , which is metabolized by arylsulfatase and exhibits antifungal activity. Micafungin metabolite M1 can be used for research on deep fungal infections caused by Candida and Aspergillus species[1].
CAS Number
539823-80-8
UNSPSC
12352209
Target
Drug Metabolite; Fungal
Related Pathways
Anti-infection; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Infection
Smiles
[H][C@]1([C@@H](O)[C@@H](C)CN1C2=O)C(N[C@H](O)[C@H](O)C[C@H](NC(C(C=C3)=CC=C3C4=NOC(C5=CC=C(OCCCCC)C=C5)=C4)=O)C(N[C@](C(N6C[C@@H](C[C@@](C(N[C@](C(N[C@]2([C@@H](CC(N)=O)O)[H])=O)([C@@H]([C@@H](O)C7=CC(O)=C(O)C=C7)O)[H])=O)6[H])O)=O)([C@@H](C)O)[H])=O)=O
Molecular Formula
C56H71N9O20
Molecular Weight
1190.21
References & Citations
[1]Tabata K, et al. Linear pharmacokinetics of micafungin and its active metabolites in Japanese pediatric patients with fungal infections[J]. Biological and Pharmaceutical Bulletin, 2006, 29 (8) : 1706-1711.
Shipping Conditions
Room temperature
Scientific Category
Peptides
Clinical Information
No Development Reported

Chemical Information

O-Desulfo Micafungin
CAS Number539823-80-8
PubChem CID91610352
IUPAC NameN-[(3S,6S,9S,11R,15S,18S,20R,21R,24S,25S,26S)-3-[(1R)-3-amino-1-hydroxy-3-oxopropyl]-6-[(1S,2S)-2-(3,4-dihydroxyphenyl)-1,2-dihydroxyethyl]-11,20,21,25-tetrahydroxy-15-[(1R)-1-hydroxyethyl]-26-methyl-2,5,8,14,17,23-hexaoxo-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-18-yl]-4-[5-(4-pentoxyphenyl)-1,2-oxazol-3-yl]benzamide
Molecular FormulaC56H71N9O20
Molecular Weight1190.2
XLogP-1
Topological Polar Surface Area467
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count16
Heavy Atom Count85
Formal Charge0
Complexity2310
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)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O
InChI
InChI=1S/C56H71N9O20/c1-4-5-6-17-84-32-14-11-28(12-15-32)40-21-33(63-85-40)27-7-9-29(10-8-27)49(76)58-34-20-39(71)52(79)62-54(81)45-46(73)25(2)23-65(45)56(83)43(38(70)22-41(57)72)60-53(80)44(48(75)47(74)30-13-16-36(68)37(69)18-30)61-51(78)35-19-31(67)24-64(35)55(82)42(26(3)66)59-50(34)77/h7-16,18,21,25-26,31,34-35,38-39,42-48,52,66-71,73-75,79H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,72)(H,58,76)(H,59,77)(H,60,80)(H,61,78)(H,62,81)/t25-,26+,31+,34-,35-,38+,39+,42-,43-,44-,45-,46-,47-,48-,52+/m0/s1
InChIKey
VJHYOZWFHJBKMZ-CICALKLBSA-N
Chemical Structure
2D Structure
2D structure of O-Desulfo Micafungin
CAS: 539823-80-8
CID: 91610352
Formula: C56H71N9O20
MW: 1190.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1190.2
XLogP3-1
Hydrogen Bond Donor Count16
Hydrogen Bond Acceptor Count21
Rotatable Bond Count16
Exact Mass1189.48153569
Monoisotopic Mass1189.48153569
Topological Polar Surface Area467 Ų
Heavy Atom Count85
Formal Charge0
Complexity2310
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

Related Products

CatalogName
HY-131471Zafirlukast metabolite M1
HY-G0023-01Niraparib metabolite M1
HY-W756790-01MDMB-FUBINACA metabolite M1
HY-G0023RNiraparib metabolite M1 (Standard)
HY-165684Benalaxyl metabolite M1-d9
HY-167948Dacomitinib metabolite M1/2
HY-17579-01Micafungin
HY-16321-01Micafungin (sodium)
HY-16321R-01Micafungin (sodium) (Standard)
HY-G0025Tetrabenazine Metabolite

Alternative Products

CatalogName
TP3139-01Micafungin metabolite M1
M044-1MGMicafungin
A3606-10Micafungin sodium
AR-M01764-01Micafungin-d11

Popular Products