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.
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
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
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 |
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.