IL-17A modulator-1 is an IL-17A modulator from patent WO2021239743+A1, example 9. IL-17A modulator-1 inhibits the biological effects of IL-17A with pIC50 of 8.2. IL-17A modulator-1 may be used to study diseases or conditions associated with modulation of IL-17A activity such as diseases with an immune component or autoimmune pathology, cancer, and neurodegenerative diseases.

Physicochemical Properties

Molecular Formula	C33H31N5O4
Molecular Weight	561.63
Exact Mass	561.237
CAS #	2748749-29-1
Related CAS #	IL-17A modulator-2;2748749-47-3
PubChem CID	162362218
Appearance	White to off-white solid powder
LogP	4.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	10
Heavy Atom Count	42
Complexity	825
Defined Atom Stereocenter Count	1
SMILES	C(C1C=CC=CC=1)(C1C=CC=CC=1)[C@@H](C(=O)NC1C=CC(C2=C(C=NC=C2OC)OC)=CC=1)NC(C1N(N=CC=1)C)=O
InChi Key	CIIPUPSMHRZVPV-HKBQPEDESA-N
InChi Code	InChI=1S/C33H31N5O4/c1-38-26(18-19-35-38)32(39)37-31(29(22-10-6-4-7-11-22)23-12-8-5-9-13-23)33(40)36-25-16-14-24(15-17-25)30-27(41-2)20-34-21-28(30)42-3/h4-21,29,31H,1-3H3,(H,36,40)(H,37,39)/t31-/m0/s1
Chemical Name	N-[(2S)-1-[4-(3,5-dimethoxypyridin-4-yl)anilino]-1-oxo-3,3-diphenylpropan-2-yl]-2-methylpyrazole-3-carboxamide
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light.
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

Targets	IL-17A 8.2 (pIC50)
References	[1]. Preparation of amino acid amides as IL-17A modulators. WO2021239743 A1.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (178.05 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (4.45 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (4.45 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.7805 mL	8.9027 mL	17.8053 mL
	5 mM	0.3561 mL	1.7805 mL	3.5611 mL
	10 mM	0.1781 mL	0.8903 mL	1.7805 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.