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
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
Appearance: Solid powder
Purity: >95% (or refer to the Certificate of Analysis)
Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility: Soluble in DMSO, not in water
Shelf Life: >2 years if stored properly
Drug Formulation: This drug may be formulated in DMSO
Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code: 2934.99.9001
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.
