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LYS006

CAT: 0931-T9690-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T9690-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1799681-85-8
Target
Aminopeptidase
Related Pathways
Metabolism
Purity
0.9933
Bioactivity
LYS006 is a highly efficient and selective LTA4H (leukotriene A4 hydrolase) inhibitor, which can be used for neutrophil-driven inflammatory diseases such as ulcerative colitis.
Smiles
C([C@H](CC(O)=O)N)N1N=C(N=N1)C2=CC=C(OC3=C(F)C=C(Cl)C=N3)C=C2
Molecular Formula
C16H14ClFN6O3
Molecular Weight
392.77
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Lys006
CAS Number1799681-85-8
PubChem CID118166560
IUPAC Name(3S)-3-amino-4-[5-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenyl]tetrazol-2-yl]butanoic acid
Molecular FormulaC16H14ClFN6O3
Molecular Weight392.77
XLogP-0.4
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count27
Formal Charge0
Complexity499
SMILES
C1=CC(=CC=C1C2=NN(N=N2)C[C@H](CC(=O)O)N)OC3=C(C=C(C=N3)Cl)F
InChI
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
InChIKey
ZEGMEJVULDALSH-NSHDSACASA-N
Chemical Structure
2D Structure
2D structure of Lys006
CAS: 1799681-85-8
CID: 118166560
Formula: C16H14ClFN6O3
MW: 392.77
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.77
XLogP3-0.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass392.0799942
Monoisotopic Mass392.0799942
Topological Polar Surface Area129 Ų
Heavy Atom Count27
Formal Charge0
Complexity499
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR19184412-01LYS006
MBS133335LYS006 hcl
HY-137298A-01LYS006 (hydrochloride)
MBS5825365LYS006 hydrochloride (1799681-85-8 Free base)

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