LYS-006 | CAS#1799681-85-8

MedKoo Cat#: 555854 | Name: LYS-006

Description:

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

LYS-006 is a Leukotriene A4 hydrolase (LTA4H) inhibitor for the treatment of Hidradenitis Suppurativa.

Chemical Structure

LYS-006

CAS#1799681-85-8

Theoretical Analysis

MedKoo Cat#: 555854

Name: LYS-006

CAS#: 1799681-85-8

Chemical Formula: C16H14ClFN6O3

Exact Mass: 392.0800

Molecular Weight: 392.78

Elemental Analysis: C, 48.93; H, 3.59; Cl, 9.03; F, 4.84; N, 21.40; O, 12.22

Price and Availability

Size	Price	Availability
10mg	USD 550.00	2 Weeks
25mg	USD 950.00	2 Weeks
50mg	USD 1,650.00	2 Weeks
100mg	USD 2,950.00	2 Weeks

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Related CAS #

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Synonym

LYS-006; LYS 006; LYS006; LTA4H-IN-1

IUPAC/Chemical Name

(S)-3-amino-4-(5-(4-((5-chloro-3-fluoropyridin-2-yl)oxy)phenyl)-2H-tetrazol-2-yl)butanoic acid

InChi Key

ZEGMEJVULDALSH-NSHDSACASA-N

InChi Code

InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1

SMILES Code

O=C(O)C[C@H](N)CN1N=C(C2=CC=C(OC3=NC=C(Cl)C=C3F)C=C2)N=N1

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

Shelf Life

>3 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

Product Data

Product Data

Instruction

View handling instruction

Biological target:

LTA4H-IN-1 is a potent inhibitor of leukotriene A4 hydrolase (LTA4H).

In vitro activity:

This study discloses the discovery and preclinical profile of LYS006, a highly potent and selective LTA4H inhibitor. A focused fragment screen identified hits that could be cocrystallized with LTA4H and inspired a fragment merging. Reference: J Med Chem. 2021 Feb 25;64(4):1889-1903. https://pubmed.ncbi.nlm.nih.gov/33592148/

In vivo activity:

Further optimization led to chiral amino acids and ultimately to LYS006, a picomolar LTA4H inhibitor with exquisite whole blood potency and long-lasting pharmacodynamic effects. Due to its high selectivity and its ability to fully suppress LTB4 generation at low exposures in vivo, LYS006 has the potential for a best-in-class LTA4H inhibitor and is currently investigated in phase II clinical trials in inflammatory acne, hidradenitis suppurativa, ulcerative colitis, and NASH. Reference: J Med Chem. 2021 Feb 25;64(4):1889-1903. https://pubmed.ncbi.nlm.nih.gov/33592148/

	Solvent	mg/mL	mM
Solubility
	DMSO	100.0	254.60

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 392.78 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:

1. Markert C, Thoma G, Srinivas H, Bollbuck B, Lüönd RM, Miltz W, Wälchli R, Wolf R, Hinrichs J, Bergsdorf C, Azzaoui K, Penno CA, Klein K, Wack N, Jäger P, Hasler F, Beerli C, Loetscher P, Dawson J, Wieczorek G, Numao S, Littlewood-Evans A, Röhn TA. Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A4 Hydrolase. J Med Chem. 2021 Feb 25;64(4):1889-1903. doi: 10.1021/acs.jmedchem.0c01955. Epub 2021 Feb 16. PMID: 33592148.

In vitro protocol:

In vivo protocol:

1: Loesche C, Picard D, Van Hoorick B, Schuhmann I, Jäger P, Klein K, Schuhler C, Thoma G, Markert C, Poller B, Zamurovic N, Weiss HM, Otto H, Fink M, Röhn TA. LTA4H inhibitor LYS006: Clinical PK/PD and safety in a randomized phase I clinical trial. Clin Transl Sci. 2024 Feb;17(2):e13724. doi: 10.1111/cts.13724. PMID: 38407540; PMCID: PMC10837484. 2: Poller B, Pearson D, Leuthold LA, Fink M, Jullion A, Schweigler P, Tor Carreras E, Marvalin C, Loesche C, Weiss HM. Human Pharmacokinetics of LYS006, an Oral Leukotriene A4 Hydrolase Inhibitor Displaying Target-Mediated Drug Disposition. Drug Metab Dispos. 2022 Dec;50(12):1472-1482. doi: 10.1124/dmd.121.000803. Epub 2022 Oct 4. PMID: 36195338. 3: Markert C, Thoma G, Srinivas H, Bollbuck B, Lüönd RM, Miltz W, Wälchli R, Wolf R, Hinrichs J, Bergsdorf C, Azzaoui K, Penno CA, Klein K, Wack N, Jäger P, Hasler F, Beerli C, Loetscher P, Dawson J, Wieczorek G, Numao S, Littlewood- Evans A, Röhn TA. Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A₄ Hydrolase. J Med Chem. 2021 Feb 25;64(4):1889-1903. doi: 10.1021/acs.jmedchem.0c01955. Epub 2021 Feb 16. PMID: 33592148. 4: Thoma G, Markert C, Lueoend R, Miltz W, Spanka C, Bollbuck B, Wolf RM, Srinivas H, Penno CA, Kiffe M, Gajewska M, Bednarczyk D, Wieczorek G, Evans A, Beerli C, Röhn TA. Discovery of Amino Alcohols as Highly Potent, Selective, and Orally Efficacious Inhibitors of Leukotriene A4 Hydrolase. J Med Chem. 2023 Dec 14;66(23):16410-16425. doi: 10.1021/acs.jmedchem.3c01866. Epub 2023 Nov 28. PMID: 38015154.