LYS-006
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    WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 555854

CAS#: 1799681-85-8

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

Chemical Structure

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LYS-006
CAS# 1799681-85-8
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 555854
Name: LYS-006
CAS#: 1799681-85-8
Chemical Formula: C16H14ClFN6O3
Exact Mass: 392.08
Molecular Weight: 392.775
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 Quantity
10mg USD 550 2 Weeks
25mg USD 950 2 Weeks
50mg USD 1650 2 Weeks
100mg USD 2950 2 Weeks
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Synonym: LYS-006; LYS 006; LYS006;

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/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 100.0 254.60

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.

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
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: 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 vivo 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.

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