LY-3381916 50mg

CAT: 0628-A19483-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A19483-50Size:50 mg

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CAS Number

2166616-75-5

Chemical Information

LY-3381916

IDO-1 Inhibitor LY3381916 is an orally available inhibitor of indoleamine 2,3-dioxygenase 1 (IDO1; IDO-1), with potential immunomodulating and antineoplastic activities. Upon administration, IDO1 inhibitor LY3381916 specifically targets and binds to IDO1, a cytosolic enzyme responsible for the oxidation of the amino acid tryptophan into the immunosuppressive metabolite kynurenine. By inhibiting IDO1 and decreasing kynurenine in tumor cells, LY3381916 restores and promotes the proliferation and activation of various immune cells, including dendritic cells (DCs), natural killer (NK) cells, and T-lymphocytes, and causes a reduction in tumor-associated regulatory T-cells (Tregs). Activation of the immune system, which is suppressed in many cancers, may induce a cytotoxic T-lymphocyte (CTL) response against the IDO1-expressing tumor cells, thereby inhibiting the growth of IDO1-expressing tumor cells. IDO1, overexpressed by multiple tumor cell types, plays an important role in immunosuppression. Tryptophan depletion inhibits T-lymphocyte proliferation and activation, and subsequently suppresses the immune system.

CAS Number	2166616-75-5
PubChem CID	132209614
IUPAC Name	4-fluoro-N-[(1R)-1-[1-(oxane-4-carbonyl)-2,3-dihydroindol-5-yl]ethyl]benzamide
Molecular Formula	C23H25FN2O3
Molecular Weight	396.5
XLogP	2.9
Topological Polar Surface Area	58.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	29
Formal Charge	0
Complexity	587

SMILES

C[C@H](C1=CC2=C(C=C1)N(CC2)C(=O)C3CCOCC3)NC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN2O3/c1-15(25-22(27)16-2-5-20(24)6-3-16)18-4-7-21-19(14-18)8-11-26(21)23(28)17-9-12-29-13-10-17/h2-7,14-15,17H,8-13H2,1H3,(H,25,27)/t15-/m1/s1

InChIKey

NUBWFWVVKLRSHS-OAHLLOKOSA-N

Chemical Structure

2D Structure

CAS: 2166616-75-5

CID: 132209614

Formula: C23H25FN2O3

MW: 396.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	396.5
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	396.18492083
Monoisotopic Mass	396.18492083
Topological Polar Surface Area	58.6 Å²
Heavy Atom Count	29
Formal Charge	0
Complexity	587
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	1
Compound Is Canonicalized	Yes

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A19483-2	LY-3381916 2mg
A19483-1	LY-3381916 1mg
A19483-10mM-D	LY-3381916 10mM * 1mL in DMSO
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Alternative Products

Catalog	Name
BA7831-5	LY-3381916
HY-111540B-01	(S) -LY-3381916
HY-111540A-01	(Rac) -LY-3381916
228143	CD5 (Ly-1, Ly-12, Ly-A, T1, Tp67)
228145-01	CD5 (Ly-1, Ly-12, Ly-A, T1, Tp67) (FITC)
228144	CD5 (Ly-1, Ly-12, Ly-A, T1, Tp67) (FITC) discontinued
MBS131541	Varespladib (LY 315920; LY315920; LY-315920)
GTR18399324-01	Mouse Ly-6G/Ly-6C Antibody
228146	CD5 (Ly-1, Ly-12, Ly-A, T1, Tp67) (PE) discontinued
A3568-10	LY 303511

LY-3381916 50mg

Chemical Information

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