LY-3381916
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MedKoo CAT#: 555793

CAS#: 2166616-75-5 (free base)

Description: LY-3381916, also known as IDO1-IN-5, is a potent, selective and brain penetrated DO1 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).


Chemical Structure

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LY-3381916
CAS# 2166616-75-5 (free base)

Theoretical Analysis

MedKoo Cat#: 555793
Name: LY-3381916
CAS#: 2166616-75-5 (free base)
Chemical Formula: C23H25FN2O3
Exact Mass: 396.1849
Molecular Weight: 396.4624
Elemental Analysis: C, 69.68; H, 6.36; F, 4.79; N, 7.07; O, 12.11

Price and Availability

Size Price Availability Quantity
10.0mg USD 250.0 2 Weeks
25.0mg USD 450.0 2 Weeks
50.0mg USD 750.0 2 Weeks
100.0mg USD 1350.0 2 Weeks
200.0mg USD 2350.0 2 Weeks
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Related CAS #: LY3381916 HCl   2166616-75-5 (free base)    

Synonym: LY-3381916; LY 3381916; LY 3381916; IDO1-IN-5; IDO1-IN-5; IDO1 IN-5; IDO1-IN5; IDO1IN5; IDO1 IN5;

IUPAC/Chemical Name: (R)-4-fluoro-N-(1-(1-(tetrahydro-2H-pyran-4-carbonyl)indolin-5-yl)ethyl)benzamide

InChi Key: NUBWFWVVKLRSHS-OAHLLOKOSA-N

InChi Code: 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

SMILES Code: FC1=CC=C(C(N[C@H](C)C2=CC=C(N(C(C3CCOCC3)=O)CC4)C4=C2)=O)C=C1

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

Preparing Stock Solutions

The following data is based on the product molecular weight 396.4624 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

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Additional Information

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.