For research use only. Not for therapeutic Use.
Irucalantide is kallikrein inhibitor[1].
| Catalog Number | I040746 |
| CAS Number | 1631160-47-8 |
| Synonyms | 2-[(7R,10S,13S,18S,21S,24S,27R,30S,33S,36S,39S,42S,45R)-7-acetamido-36-(3-amino-3-oxopropyl)-13-benzyl-24-(4-carbamimidamidobutyl)-45-carbamoyl-10-(hydroxymethyl)-21-[(4-hydroxyphenyl)methyl]-33-(1H-imidazol-5-ylmethyl)-30-methyl-42-(2-methylpropyl)-8,11,14,19,22,25,28,34,37,40,43-undecaoxo-5,47,52-trithia-9,12,15,20,23,26,29,32,35,38,41,44-dodecazatetracyclo[25.23.3.13,49.015,18]tetrapentaconta-1,3(54),49-trien-39-yl]acetic acid |
| Molecular Formula | C76H106N20O18S3 |
| Purity | ≥95% |
| InChI | InChI=1S/C76H106N20O18S3/c1-40(2)22-53-68(107)94-58(64(78)103)36-115-33-45-23-46-25-47(24-45)35-117-38-60(72(111)85-41(3)30-83-52(28-48-31-81-39-84-48)67(106)88-51(17-18-62(77)100)66(105)90-55(29-63(101)102)70(109)89-53)95-65(104)50(12-8-9-20-82-76(79)80)87-69(108)54(26-44-13-15-49(99)16-14-44)91-74(113)61-19-21-96(61)75(114)56(27-43-10-6-5-7-11-43)92-71(110)57(32-97)93-73(112)59(37-116-34-46)86-42(4)98/h5-7,10-11,13-16,23-25,31,39-41,50-61,83,97,99H,8-9,12,17-22,26-30,32-38H2,1-4H3,(H2,77,100)(H2,78,103)(H,81,84)(H,85,111)(H,86,98)(H,87,108)(H,88,106)(H,89,109)(H,90,105)(H,91,113)(H,92,110)(H,93,112)(H,94,107)(H,95,104)(H,101,102)(H4,79,80,82)/t41-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-/m0/s1 |
| InChIKey | LTTOZAFALSJSEY-GEIPQBTESA-N |
| SMILES | CC1CNC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CSCC2=CC3=CC(=C2)CSCC(C(=O)NC(C(=O)NC(C(=O)N4CCC4C(=O)NC(C(=O)NC(C(=O)NC(CSC3)C(=O)N1)CCCCNC(=N)N)CC5=CC=C(C=C5)O)CC6=CC=CC=C6)CO)NC(=O)C)C(=O)N)CC(C)C)CC(=O)O)CCC(=O)N)CC7=CN=CN7 |
| Reference | [1]. Teufel DP, et al. Stable and Long-Lasting, Novel Bicyclic Peptide Plasma Kallikrein Inhibitors for the Treatment of Diabetic Macular Edema. J Med Chem. 2018 Apr 12;61(7):2823-2836. |
