Acebilustat | CAS#943764-99-6 | leukotriene A4 hydrolase inhibitor

Acebilustat
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WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 319573

CAS#: 943764-99-6

Description: Acebilustat, also known as CTX4430; and ZK322, is a potent and selective leukotriene A4 hydrolase inhibitor. Acebilustat reduces the number of transmigrating neutrophils, while the metabolic modulator metformin decreases metabolism and oxidant production.

Chemical Structure

Acebilustat

CAS# 943764-99-6

Instruction

Theoretical Analysis

MedKoo Cat#: 319573
Name: Acebilustat
CAS#: 943764-99-6
Chemical Formula: C29H27N3O4
Exact Mass: 481.20
Molecular Weight: 481.550
Elemental Analysis: C, 72.33; H, 5.65; N, 8.73; O, 13.29

Price and Availability

Size	Price	Availability
25mg	USD 450	2 Weeks
50mg	USD 750	2 Weeks
100mg	USD 1350	2 Weeks
200mg	USD 2350	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: ZK322; ZK-322; ZK 322; CTX-4430; CTX4430; CTX 4430; EP501; EP-501; EP 501; Acebilustat;

IUPAC/Chemical Name: 4-(((1S,4S)-5-(4-(4-(oxazol-2-yl)phenoxy)benzyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl)methyl)benzoic acid

InChi Key: GERJIEKMNDGSCS-DQEYMECFSA-N

InChi Code: InChI=1S/C29H27N3O4/c33-29(34)23-5-1-20(2-6-23)16-31-18-25-15-24(31)19-32(25)17-21-3-9-26(10-4-21)36-27-11-7-22(8-12-27)28-30-13-14-35-28/h1-14,24-25H,15-19H2,(H,33,34)/t24-,25-/m0/s1

SMILES Code: O=C(O)C1=CC=C(CN2[C@](C3)([H])CN(CC4=CC=C(OC5=CC=C(C6=NC=CO6)C=C5)C=C4)[C@]3([H])C2)C=C1

Appearance: Solid powder

Purity: >98% (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

More Info:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. mM
Solubility
	Soluble in DMSO, not in water	0.0	100.00

Preparing Stock Solutions

The following data is based on the product molecular weight 481.55 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

Formulation protocol:
In vitro protocol:
In vivo protocol:

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*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

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1: Elborn JS, Horsley A, MacGregor G, Bilton D, Grosswald R, Ahuja S, Springman EB. Phase I Studies of Acebilustat: Biomarker Response and Safety in Patients with Cystic Fibrosis. Clin Transl Sci. 2017 Jan;10(1):28-34. doi: 10.1111/cts.12428. Epub 2016 Nov 2. PMID: 27806191; PMCID: PMC5351012.

2: Elborn JS, Konstan MW, Taylor-Cousar JL, Fajac I, Horsley A, Sutharsan S, Aaron SD, Daines CL, Uluer A, Downey DG, Lucidi VV, Ahuja S, Springman E, Mershon J, Grosswald R, Rowe SM; EMPIRE-CF study group. Empire-CF study: A phase 2 clinical trial of leukotriene A4 hydrolase inhibitor acebilustat in adult subjects with cystic fibrosis. J Cyst Fibros. 2021 Nov;20(6):1026-1034. doi: 10.1016/j.jcf.2021.08.007. Epub 2021 Sep 17. PMID: 34538755; PMCID: PMC8649042.

3: Elborn JS, Bhatt L, Grosswald R, Ahuja S, Springman EB. Phase I Studies of Acebilustat: Pharmacokinetics, Pharmacodynamics, Food Effect, and CYP3A Induction. Clin Transl Sci. 2017 Jan;10(1):20-27. doi: 10.1111/cts.12426. Epub 2016 Oct 28. Erratum in: Clin Transl Sci. 2018 Jan;11(1):93. PMID: 27792868; PMCID: PMC5351008.

4: Levitt JE, Hedlin H, Duong S, Lu D, Lee J, Bunning B, Elkarra N, Pinsky BA, Heffernan E, Springman E, Moss RB, Bonilla HF, Parsonnet J, Zamanian RT, Langguth JJ, Bollyky J, Khosla C, Nicolls MR, Desai M, Rogers AJ. Evaluation of acebilustat, a selective inhibitor of leukotriene B4 biosynthesis, for treatment of outpatients with mild-moderate COVID-19 disease: A randomized, double-blind, placebo- controlled Phase 2 trial. Clin Infect Dis. 2023 Mar 30:ciad187. doi: 10.1093/cid/ciad187. Epub ahead of print. PMID: 36996150.

5: Elborn JS, Ahuja S, Springman E, Mershon J, Grosswald R, Rowe SM. EMPIRE-CF: A phase II randomized placebo-controlled trial of once-daily, oral acebilustat in adult patients with cystic fibrosis - Study design and patient demographics. Contemp Clin Trials. 2018 Sep;72:86-94. doi: 10.1016/j.cct.2018.07.014. Epub 2018 Jul 26. PMID: 30056216.

6: Erratum to "Phase I Studies of Acebilustat: Pharmacokinetics, Pharmacodynamics, Food Effect, and CYP3A Induction". Clin Transl Sci. 2018 Jan;11(1):93. doi: 10.1111/cts.12510. Erratum for: Clin Transl Sci. 2017 Jan;10 (1):20-27. PMID: 29314733; PMCID: PMC5759731.

7: Currie AJ, Main ET, Wilson HM, Armstrong-James D, Warris A. CFTR Modulators Dampen Aspergillus-Induced Reactive Oxygen Species Production by Cystic Fibrosis Phagocytes. Front Cell Infect Microbiol. 2020 Jul 24;10:372. doi: 10.3389/fcimb.2020.00372. PMID: 32793514; PMCID: PMC7393064.

8: Forrest OA, Ingersoll SA, Preininger MK, Laval J, Limoli DH, Brown MR, Lee FE, Bedi B, Sadikot RT, Goldberg JB, Tangpricha V, Gaggar A, Tirouvanziam R. Frontline Science: Pathological conditioning of human neutrophils recruited to the airway milieu in cystic fibrosis. J Leukoc Biol. 2018 Oct;104(4):665-675. doi: 10.1002/JLB.5HI1117-454RR. Epub 2018 May 9. PMID: 29741792; PMCID: PMC6956843.

9: Somayaji R, Nichols DP, Bell SC. Cystic fibrosis - Ten promising therapeutic approaches in the current era of care. Expert Opin Investig Drugs. 2020 Oct;29(10):1107-1124. doi: 10.1080/13543784.2020.1805733. Epub 2020 Oct 10. PMID: 32744089.

10: Lim CS, Veltri B, Kashon M, Porter DW, Ma Q. Multi-walled carbon nanotubes induce arachidonate 5-lipoxygenase expression and enhance the polarization and function of M1 macrophages in vitro. Nanotoxicology. 2023 Apr;17(3):249-269. doi: 10.1080/17435390.2023.2204161. Epub 2023 Apr 28. PMID: 37115655.

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