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Argadin

CAT: 0931-T76261-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T76261-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
289665-92-5
Target
Parasite
Related Pathways
Microbiology/Virology
Bioactivity
Argadin, a cyclopentapeptide chitinase inhibitor, effectively inhibits chitinase B (ChiB) with a K i value of 20 nM. It holds potential for research in fungicide and insecticide applications [1] [2].
Smiles
C([C@@H]1N2C(=O)[C@](C[C@H]2O)(NC(=O)[C@@]3(N(C(=O)[C@H](CCCNC(NC(C)=O)=N)NC(=O)[C@H](CCCC(O)=O)NC1=O)CCC3)[H])[H])C4=CN=CN4
Molecular Formula
C29H42N10O9
Molecular Weight
674.71
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Argadin

argadin has been reported in Clonostachys, Excoecaria, and Sebastiania with data available.

CAS Number289665-92-5
PubChem CID449123
IUPAC Name4-[(1S,4R,10S,13S,16S,18R)-10-[3-[[acetamido(amino)methylidene]amino]propyl]-18-hydroxy-16-(1H-imidazol-5-ylmethyl)-3,9,12,15,20-pentaoxo-2,8,11,14,17-pentazatricyclo[15.2.1.04,8]icosan-13-yl]butanoic acid
Molecular FormulaC29H42N10O9
Molecular Weight674.7
XLogP-2.4
Topological Polar Surface Area282
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count48
Formal Charge0
Complexity1300
SMILES
CC(=O)NC(=NCCC[C@H]1C(=O)N2CCC[C@@H]2C(=O)N[C@H]3C[C@H](N(C3=O)[C@H](C(=O)N[C@H](C(=O)N1)CCCC(=O)O)CC4=CN=CN4)O)N
InChI
InChI=1S/C29H42N10O9/c1-15(40)34-29(30)32-9-3-6-18-27(47)38-10-4-7-20(38)25(45)37-19-12-22(41)39(28(19)48)21(11-16-13-31-14-33-16)26(46)35-17(24(44)36-18)5-2-8-23(42)43/h13-14,17-22,41H,2-12H2,1H3,(H,31,33)(H,35,46)(H,36,44)(H,37,45)(H,42,43)(H3,30,32,34,40)/t17-,18-,19-,20+,21-,22+/m0/s1
InChIKey
FOZYKTUSOWWQGR-KNPYFFGGSA-N
Chemical Structure
2D Structure
2D structure of Argadin
CAS: 289665-92-5
CID: 449123
Formula: C29H42N10O9
MW: 674.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight674.7
XLogP3-2.4
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass674.31362296
Monoisotopic Mass674.31362296
Topological Polar Surface Area282 Ų
Heavy Atom Count48
Formal Charge0
Complexity1300
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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