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Koshidacin B

CAT: 0804-HY-N10624Size: 1 EachDry Ice: NoHazardous: No
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Description
Koshidacin B is an antiplasmodial cyclic tetrapeptide with antiplasmodial activity against P. falciparum FCR3 and K1 strain with IC50 values of 0.89 and 0.83 μM, respectively. Koshidacin B suppresses malaria parasites in vivo, it can be used for the research of parasites infection[1].
CAS Number
2925302-01-6
UNSPSC
12352005
Target
Parasite
Type
Natural Products
Related Pathways
Anti-infection
Applications
COVID-19-immunoregulation
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/koshidacin-b.html
Solubility
10 mM in DMSO
Smiles
OC[C@H](O)C(CCCCC[C@H](NC([C@H]1CCCN1C([C@@H](NC(C(C)(C)N2)=O)CC3=CC=CC=C3)=O)=O)C2=O)=O
Molecular Formula
C28H40N4O7
Molecular Weight
544.64
References & Citations
[1]Watanabe Y, et al. Koshidacins A and B, Antiplasmodial Cyclic Tetrapeptides from the Okinawan Fungus Pochonia boninensis FKR-0564. J Nat Prod. 2022 Oct 25.
Shipping Conditions
Room temperature
Scientific Category
Natural Products
Clinical Information
No Development Reported

Chemical Information

Koshidacin B
CAS Number2925302-01-6
PubChem CID168276739
IUPAC Name(3S,9S,12R)-3-benzyl-9-[(7S)-7,8-dihydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Molecular FormulaC28H40N4O7
Molecular Weight544.6
XLogP0.7
Topological Polar Surface Area165
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count39
Formal Charge0
Complexity902
SMILES
CC1(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)CCCCCC(=O)[C@H](CO)O)CC3=CC=CC=C3)C
InChI
InChI=1S/C28H40N4O7/c1-28(2)27(39)30-20(16-18-10-5-3-6-11-18)26(38)32-15-9-13-21(32)25(37)29-19(24(36)31-28)12-7-4-8-14-22(34)23(35)17-33/h3,5-6,10-11,19-21,23,33,35H,4,7-9,12-17H2,1-2H3,(H,29,37)(H,30,39)(H,31,36)/t19-,20-,21+,23-/m0/s1
InChIKey
MCPVEPXHYRIJGU-QXUYBEEESA-N
Chemical Structure
2D Structure
2D structure of Koshidacin B
CAS: 2925302-01-6
CID: 168276739
Formula: C28H40N4O7
MW: 544.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight544.6
XLogP30.7
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass544.28969963
Monoisotopic Mass544.28969963
Topological Polar Surface Area165 Ų
Heavy Atom Count39
Formal Charge0
Complexity902
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
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