PotentirreversIBLeαVβ3integrinantagoNIST(Ki=0.27nM).Disruptsattachmentofosteoclaststoboneandinhibitsbonereabsorption(IC50=0.1nM).PreventsADP-inducedplateletaggregationviainhibitionofglycoproteinIIb/IIIa(GpIIb/IIIa,αIIbβ3)receptors(IC50=30nM)invitro.
M.Wt | 5417.1 |
Formula | C217H341N71O74S9 |
Sequence | ECESGPCCRNCKFLKEGTICKRARGDDMDDYCNGKTCDCPRNPHKGPAT (Modifications:Disulfidebridgebetween2-11,7-32,8-37,20-39) |
Storage | Storeat-20°C |
CASNumber | 154303-05-6 |
PubChemID | 90488810 |
InChIKey | KZMZKUVIDVBQGX-UHFFFAOYSA-N |
Smiles | [H]N[C@@H](CCC(O)=O)C(=O)N[C@H]1CSSC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]3CSSC[C@@H]4NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N3)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC4=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC=N1)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(O)=O)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCCCN)NC2=O)[C@@H](C)O)[C@@H](C)CC)[C@@H](C)O |
Thetechnicaldataprovidedaboveisforguidanceonly.ForbatchspecificdatarefertotheCertificateofAnalysis.
AllTocrisproductsareintendedforlaboratoryresearchuseonly.
Solubility | Solubleto1mg/mlinwater |
Thefollowingdataisbasedontheproductmolecularweight5417.1.Batchspecificmolecularweightsmayvaryfrombatchtobatchduetosolventofhydration,whichwillaffectthesolventvolumesrequiredtopreparestocksolutions.
Concentration/SolventVolume/Mass | 1mg | 5mg | 10mg |
---|---|---|---|
1mM | 0.18mL | 0.92mL | 1.85mL |
5mM | 0.04mL | 0.18mL | 0.37mL |
10mM | 0.02mL | 0.09mL | 0.18mL |
50mM | 0mL | 0.02mL | 0.04mL |