Acebilustat
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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

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Acebilustat
CAS# 943764-99-6

Theoretical Analysis

MedKoo Cat#: 319573
Name: Acebilustat
CAS#: 943764-99-6
Chemical Formula: C29H27N3O4
Exact Mass: 481.2002
Molecular Weight: 481.55
Elemental Analysis: C, 72.33; H, 5.65; N, 8.73; O, 13.29

Price and Availability

Size Price Availability Quantity
25.0mg USD 350.0 2 Weeks
50.0mg USD 550.0 2 Weeks
100.0mg USD 950.0 2 Weeks
200.0mg USD 1650.0 2 Weeks
500.0mg USD 2450.0 2 Weeks
1.0g USD 3250.0 2 Weeks
2.0g USD 5650.0 2 Weeks
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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

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.

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: 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.

2: 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.

3: 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.

4: 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.

5: 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.

6: 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.

7: 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.