WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 319539
CAS#: 918407-35-9
Description: Avoralstat, also known as BCX-4161, is a potent and orally active Kallikrein inhibitor and Bradykinin inhibitor. Avoralstat may be potentially useful for treatment for Hereditary angioedema. Avoralstat inhibits plasma kallikrein and suppresses bradykinin production. Bradykinin is the mediator of acute swelling attacks in HAE patients.
MedKoo Cat#: 319539
Name: Avoralstat
CAS#: 918407-35-9
Chemical Formula: C28H27N5O5
Exact Mass: 513.2012
Molecular Weight: 513.554
Elemental Analysis: C, 65.49; H, 5.30; N, 13.64; O, 15.58
Avoralstat, purity > 95%, is in stock. Current shipping out time is about 2 weeks after order is received. CoA, QC data and MSDS documents are available in one week after order is received.
Synonym: BCX-4161; BCX 4161; BCX4161; Avoralstat
IUPAC/Chemical Name: 3-{2-[(4-carbamimidoylphenyl)carbamoyl]-4-ethenyl-5-methoxyphenyl}-6-[(cyclopropylmethyl)carbamoyl]pyridine-2-carboxylic acid
InChi Key: TUWMKPVJGGWGNL-UHFFFAOYSA-N
InChi Code: InChI=1S/C28H27N5O5/c1-3-16-12-21(26(34)32-18-8-6-17(7-9-18)25(29)30)20(13-23(16)38-2)19-10-11-22(33-24(19)28(36)37)27(35)31-14-15-4-5-15/h3,6-13,15H,1,4-5,14H2,2H3,(H3,29,30)(H,31,35)(H,32,34)(H,36,37)
SMILES Code: O=C(C1=NC(C(NCC2CC2)=O)=CC=C1C3=CC(OC)=C(C=C)C=C3C(NC4=CC=C(C(N)=N)C=C4)=O)O
The following data is based on the product molecular weight 513.554 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.15 mL | 5.76 mL | 11.51 mL |
| 5 mM | 0.23 mL | 1.15 mL | 2.3 mL |
| 10 mM | 0.12 mL | 0.58 mL | 1.15 mL |
| 50 mM | 0.02 mL | 0.12 mL | 0.23 mL |
1: Aygören-Pürsün E, Magerl M, Graff J, Martinez-Saguer I, Kreuz W, Longhurst H,
Nasr I, Bas M, Straßen U, Fang L, Cornpropst M, Dobo S, Collis P, Sheridan WP,
Maurer M. Prophylaxis of hereditary angioedema attacks: A randomized trial of
oral plasma kallikrein inhibition with avoralstat. J Allergy Clin Immunol. 2016
Sep;138(3):934-936.e5. doi: 10.1016/j.jaci.2016.03.043. Epub 2016 May 11. PubMed
PMID: 27302552.
2: Cornpropst M, Collis P, Collier J, Babu YS, Wilson R, Zhang J, Fang L, Zong J,
Sheridan WP. Safety, pharmacokinetics, and pharmacodynamics of avoralstat, an
oral plasma kallikrein inhibitor: phase 1 study. Allergy. 2016
Dec;71(12):1676-1683. doi: 10.1111/all.12930. Epub 2016 Jul 20. PubMed PMID:
27154593.
