MedKoo Cat#: 465216 | Name: IACS-70465

Description:

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

IACS-70465 is a Potent IDO1 Inhibitor Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. IACS-70465 has excellent cellular potency, a robust pharmacodynamic response, and in a human whole blood assay was more potent than linrodostat (BMS-986205)

Chemical Structure

IACS-70465
IACS-70465
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465216

Name: IACS-70465

CAS#: unknown

Chemical Formula: C24H22ClFN2O2

Exact Mass: 424.1354

Molecular Weight: 424.90

Elemental Analysis: C, 67.84; H, 5.22; Cl, 8.34; F, 4.47; N, 6.59; O, 7.53

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
IACS-70465; IACS70465; IACS 70465;
IUPAC/Chemical Name
(R)-N-(4-chlorophenyl)-2-((1R,3S,5S,6r)-3-((6-fluoroquinolin-4-yl)oxy)bicyclo[3.1.0]hexan-6-yl)propanamide
InChi Key
PGERJQKPSKSGLZ-URMHBIRVSA-N
InChi Code
InChI=1S/C24H22ClFN2O2/c1-13(24(29)28-16-5-2-14(25)3-6-16)23-18-11-17(12-19(18)23)30-22-8-9-27-21-7-4-15(26)10-20(21)22/h2-10,13,17-19,23H,11-12H2,1H3,(H,28,29)/t13-,17-,18-,19+,23+/m1/s1
SMILES Code
C[C@H]([C@@H]1[C@@]2([H])C[C@H](OC3=CC=NC4=CC=C(F)C=C34)C[C@@]12[H])C(NC5=CC=C(Cl)C=C5)=O
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 424.90 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
1: Hamilton MM, Mseeh F, McAfoos TJ, Leonard PG, Reyna NJ, Harris AL, Xu A, Han M, Soth MJ, Czako B, Theroff JP, Mandal PK, Burke JP, Virgin-Downey B, Petrocchi A, Pfaffinger D, Rogers NE, Parker CA, Yu SS, Jiang Y, Krapp S, Lammens A, Trevitt G, Tremblay MR, Mikule K, Wilcoxen K, Cross JB, Jones P, Marszalek JR, Lewis RT. Discovery of IACS-9779 and IACS-70465 as Potent Inhibitors Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. J Med Chem. 2021 Jul 22. doi: 10.1021/acs.jmedchem.1c00679. Epub ahead of print. PMID: 34292726.