CCRP2(also known as TLX agonist 1 and SUN-23314) ,is a novel orphan nuclear receptor tailless (TLX, NR2E1) modulator (EC50=1μM; Kd= 650 nM). TLX agonist 1 potentiates TLX transcriptional repressive activity. CCRP2 was reported in PLoS One . 2014 Jun 17;9(6):e99440.

Physicochemical Properties

Molecular Formula	C23H26N4O
Molecular Weight	374.48
Exact Mass	374.21
Elemental Analysis	C, 73.77; H, 7.00; N, 14.96; O, 4.27
CAS #	958323-31-4
Related CAS #	958323-31-4;CCRP2 HCl;
Appearance	White to off-white solid powder
LogP	0
SMILES	O=C(C1C=C(C)N(C)N=1)N1CCN(C(C2C=CC=CC=2)C2C=CC=CC=2)CC1
InChi Key	SSGJAUSSGPIZEE-UHFFFAOYSA-N
InChi Code	InChI=1S/C23H26N4O/c1-18-17-21(24-25(18)2)23(28)27-15-13-26(14-16-27)22(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,17,22H,13-16H2,1-2H3
Chemical Name	(4-benzhydrylpiperazin-1-yl)(1,5-dimethyl-1H-pyrazol-3-yl)methanone
Synonyms	TLX agonist 1 CCRP2 CCRP-2 CCRP 2
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, avoid exposure to moisture.
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

ln Vitro	BMS-1001 attaches itself to human PD-L1 and prevents it from interacting with PD-1. BMS-1001 exhibits minimal toxicity towards the cell lines examined and inhibits the communication between soluble PD-L1 and cell surface-expressed PD-1. The inhibitory effect of soluble PD-L1 on T cell receptor-mediated T lymphocyte activation is lessened by BMS-1001 [1].
References	[1]. Small-molecule inhibitors of PD-1/PD-L1 immune checkpoint alleviate the PD-L1-induced exhaustion of T-cells. Oncotarget. 2017 Aug 7;8(42):72167-72181. [2]. Small-Molecule Inhibitors of the Programmed Cell Death-1/Programmed Death-Ligand 1 (PD-1/PD-L1) Interaction via Transiently Induced Protein States and Dimerization of PD-L1. J Med Chem. 2017 Jul 13;60(13):5857-5867.

Solubility Data

Solubility (In Vitro)

DMSO : ~12.5 mg/mL (~19.81 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 1.25 mg/mL (1.98 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 12.5 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: ≥ 1.25 mg/mL (1.98 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in 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 12.5 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.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6704 mL	13.3518 mL	26.7037 mL
	5 mM	0.5341 mL	2.6704 mL	5.3407 mL
	10 mM	0.2670 mL	1.3352 mL	2.6704 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.