L-NIL dihydrochloride

CAT: 0931-T25749-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0931-T25749-01Size:10 mg

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CAS Number

159190-45-1

Target

NO Synthase, Others

Related Pathways

Others, Immunology/Inflammation

Bioactivity

L-NIL HCl is a relatively selective iNOS inhibitor (IC50s: 0.4-3.3, 8-38, and 17-92 μM for iNOS, eNOS, and nNOS) . L-NIL effectively inhibits iNOS both in vitro and in vivo. L-NIL has been used to demonstrate a critical role for iNOS in the immune response to infection by the protozoan L. major.

Smiles

Cl.Cl.CC(N)=NCCCCC(N)C(O)=O

Molecular Formula

C8H19Cl2N3O2

Molecular Weight

260.16

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-Iminoethyl-L-lysine dihydrochloride

N(6)-acetimidoyl-L-lysine dihydrochloride is a hydrochloride salt prepared from N6-acetimidoyl-L-lysine and two equivalents of hydrogen chloride. A selective inhibitor of inducible nitric oxide synthase. It has a role as an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It contains a N(6)-acetimidoyl-L-lysinium(2+).

CAS Number	159190-45-1
PubChem CID	2733505
IUPAC Name	(2S)-2-amino-6-(1-aminoethylideneamino)hexanoic acid;dihydrochloride
Molecular Formula	C8H19Cl2N3O2
Molecular Weight	260.16
Topological Polar Surface Area	102
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	15
Formal Charge	0
Complexity	192

SMILES

CC(=NCCCC[C@@H](C(=O)O)N)N.Cl.Cl

InChI

InChI=1S/C8H17N3O2.2ClH/c1-6(9)11-5-3-2-4-7(10)8(12)13;;/h7H,2-5,10H2,1H3,(H2,9,11)(H,12,13);2*1H/t7-;;/m0../s1

InChIKey

OQIBCXRAFAHXMM-KLXURFKVSA-N

Chemical Structure

2D Structure

CAS: 159190-45-1

CID: 2733505

Formula: C8H19Cl2N3O2

MW: 260.16

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	260.16
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	259.0854322
Monoisotopic Mass	259.0854322
Topological Polar Surface Area	102 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	192
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	3
Compound Is Canonicalized	Yes

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L-NIL dihydrochloride

Chemical Information

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