NDMC101 is a potent osteoclastogenesis inhibitor that can suppress osteoclast differentiation by downregulating NFATc1 regulatory gene expression. NDMC101 is a similar DPP4 substrate and is an important inhibitor of early T cell activation through inhibition of DPP4. NDMC101 may be utilized in study/research of bone diseases, like rheumatoid arthritis, synovitis, etc.

Physicochemical Properties

Molecular Formula	C13H9CLFNO2
Molecular Weight	265.66
Exact Mass	265.03
Elemental Analysis	C, 58.77; H, 3.41; Cl, 13.34; F, 7.15; N, 5.27; O, 12.04
CAS #	1308631-40-4
Related CAS #	1308631-40-4
PubChem CID	60202556
Appearance	White to off-white solid powder
Density	1.5±0.1 g/cm3
Boiling Point	311.1±42.0 °C at 760 mmHg
Flash Point	142.0±27.9 °C
Vapour Pressure	0.0±0.7 mmHg at 25°C
Index of Refraction	1.661
LogP	3.58
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	18
Complexity	303
Defined Atom Stereocenter Count	0
SMILES	C1(C(NC2C=CC(Cl)=CC=2F)=O)=C(C=CC=C1)O
InChi Key	NUQWCDAXACRITO-UHFFFAOYSA-N
InChi Code	InChI=1S/C13H9ClFNO2/c14-8-5-6-11(10(15)7-8)16-13(18)9-3-1-2-4-12(9)17/h1-7,17H,(H,16,18)
Chemical Name	N-(4-chloro-2-fluorophenyl)-2-hydroxybenzamide
Synonyms	NDMC101; NDMC 101; NDMC-101; HS Cm; HSCm; HS-Cm
HS Tariff Code	2934.99.03.00
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage.
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	NF-κB; p38; ERK
ln Vitro	NDMC101 (10–15 µM) prevents bone marrow-derived macrophages (BMDMs) and RAW 264.7 cells from differentiating into osteoclasts when RANKL is present[1]. In BMDMs, NDMC101 (15 µM) reduces the osteoclastogenic genes Nfatc1, Acp5, Ctsk, Oscar, Itgb3, and Dcstamp's expression in response to RANKL[1].
References	[1]. A benzamide-linked small molecule NDMC101 inhibits NFATc1 and NF-κB activity: a potential osteoclastogenesis inhibitor for experimental arthritis. J Clin Immunol. 2012 Aug;32(4):762-77. [2]. A salicylate-based small molecule HS-Cm exhibits immunomodulatory effects and inhibits dipeptidyl peptidase-IV activity in human T cells. Eur J Pharmacol. 2014 Mar 5;726:124-32.

Solubility Data

Solubility (In Vitro)

DMSO: 53~100 mg/mL(199.5~376.4 mM) Ethanol: ~13 mg/mL(~48.9 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (9.41 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (9.41 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	3.7642 mL	18.8210 mL	37.6421 mL
	5 mM	0.7528 mL	3.7642 mL	7.5284 mL
	10 mM	0.3764 mL	1.8821 mL	3.7642 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.