Avoralstat
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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.


Chemical Structure

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Avoralstat
CAS# 918407-35-9

Theoretical Analysis

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

Price and Availability

Size Price Availability Quantity
10.0mg USD 190.0 2 Weeks
25.0mg USD 350.0 2 Weeks
50.0mg USD 550.0 2 Weeks
100.0mg USD 950.0 2 Weeks
200.0mg USD 1450.0 2 Weeks
500.0mg USD 2250.0 2 Weeks
1.0g USD 2950.0 2 Weeks
2.0g USD 4950.0 2 Weeks
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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

Preparing Stock Solutions

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.

Recalculate based on batch purity %
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

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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.