IACS-9779 | CAS#unknown | IDO1 Inhibitor

MedKoo Cat#: 465215 | Name: IACS-9779

Description:

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

IACS-9779 is a Potent IDO1 Inhibitor Targeting Indoleamine 2,3-Dioxygenase 1 (IDO1) Apoenzyme. IACS-9779 with a predicted human efficacious once daily dose below 1 mg/kg to sustain >90% inhibition of IDO1 displayed an acceptable safety margin in rodent toxicology and dog cardiovascular studies to support advancement into preclinical safety evaluation for human development.

Chemical Structure

IACS-9779

CAS#unknown

Theoretical Analysis

MedKoo Cat#: 465215

Name: IACS-9779

CAS#: unknown

Chemical Formula: C23H22ClF2N3O

Exact Mass: 429.1419

Molecular Weight: 429.90

Elemental Analysis: C, 64.26; H, 5.16; Cl, 8.25; F, 8.84; N, 9.77; O, 3.72

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-9779; IACS9779; IACS 9779;

IUPAC/Chemical Name

4-chloro-N-((R)-1-((1R,3S,5S,6r)-3-(5,6-difluoro-1H-benzo[d]imidazol-1-yl)bicyclo[3.1.0]hexan-6-yl)propyl)benzamide

InChi Key

PJRNKUWABSYXJP-PZJWQNMWSA-N

InChi Code

InChI=1S/C23H22ClF2N3O/c1-2-19(28-23(30)12-3-5-13(24)6-4-12)22-15-7-14(8-16(15)22)29-11-27-20-9-17(25)18(26)10-21(20)29/h3-6,9-11,14-16,19,22H,2,7-8H2,1H3,(H,28,30)/t14-,15-,16+,19-,22+/m1/s1

SMILES Code

O=C(N[C@@H]([C@@H]1[C@@]2([H])C[C@H](N3C=NC4=CC(F)=C(F)C=C34)C[C@@]12[H])CC)C5=CC=C(Cl)C=C5

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 429.90 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.

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.