WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 465215
Description: 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.
MedKoo Cat#: 465215
Chemical Formula: C23H22ClF2N3O
Exact Mass: 429.1419
Molecular Weight: 429.8958
Elemental Analysis: C, 64.26; H, 5.16; Cl, 8.25; F, 8.84; N, 9.77; O, 3.72
This product is not in stock, which may be available by custom synthesis.
For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge).
Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.
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
The following data is based on the product molecular weight 429.8958 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.