Chemistry:Argadin

Argadin
Identifiers
CAS Number	289665-92-5 ;
3D model (JSmol)	Interactive image;
ChEMBL	ChEMBL445236 ;
ChemSpider	395740 ;
DrugBank	DB04350 ;
PubChem CID	449123;
	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 Key: FOZYKTUSOWWQGR-KNPYFFGGSA-N ; InChI=1/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 Key: FOZYKTUSOWWQGR-KNPYFFGGBM;
	SMILES O=C1N2[C@H](O)C[C@@H]1NC(=O)[C@@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2Cc3c[nH]cn3)CCCC(=O)O)CCC/N=C(\N)NC(=O)C)CCC4;
Properties
Chemical formula	C29H42N10O9
Molar mass	674.7 g/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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	Infobox references

Argadin is a cyclic peptide natural product, investigated for its ability to be a nanomolar inhibitor of Family-18 Chitinases.^[1]

References

↑ Dixon, Mark; Ole A. Andersen; Daan M. F. van Aalten; Ian M. Eggleston (2006). "First Synthesis of Argadin: A Nanomolar Inhibitor of Family-18 Chitinases". Journal of Drugs in Dermatology 2006 (22): 5002–5006. doi:10.1002/ejoc.200600599.

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Identifiers

CAS Number	289665-92-5^Y
3D model (JSmol)	Interactive image
ChEMBL	ChEMBL445236^Y
ChemSpider	395740^Y
DrugBank	DB04350^Y
PubChem CID	449123
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^Y Key: FOZYKTUSOWWQGR-KNPYFFGGSA-N^Y InChI=1/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 Key: FOZYKTUSOWWQGR-KNPYFFGGBM
SMILES O=C1N2[C@H](O)C[C@@H]1NC(=O)[C@@H]4N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]2Cc3c[nH]cn3)CCCC(=O)O)CCC/N=C(\N)NC(=O)C)CCC4
Properties
Chemical formula	C₂₉H₄₂N₁₀O₉
Molar mass	674.7 g/mol
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y verify (what is ^YN ?)
Infobox references