CAY10471 Racemate (also known as TM-30089 Racemate) is a novel, potent and highly selective prostaglandin D2 receptor CRTH2 antagonist with a Ki of 0.6 nM for hCRTH2, it is selective over human thromboxane A2 receptor TP (Ki, >10000 nM) or PGD2 receptor DP (Ki, 1200 nM). CAY10471 The orthologs of CRTH2 in rats and mice are also impacted by racemate. With IC50s of 12 and 3 nM, respectively, CAY10471 Racemate (Compound 13) suppresses β-arrestin translocation and inhibits PGD2-induced inositol phosphate or cAMP formation.

Physicochemical Properties

Molecular Formula	C21H21N2O4FS
Molecular Weight	416.46584
Exact Mass	416.121
Elemental Analysis	C, 60.56; H, 5.08; F, 4.56; N, 6.73; O, 15.37; S, 7.70
CAS #	844639-57-2
Related CAS #	CAY10471; 627865-18-3; 844639-57-2 (racemic)
PubChem CID	11384493
Appearance	Off-white to light yellow solid powder
LogP	4.123
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	29
Complexity	704
Defined Atom Stereocenter Count	0
SMILES	O=C(CN1C2CCC(CC=2C2C1=CC=CC=2)N(S(C1C=CC(F)=CC=1)(=O)=O)C)O
InChi Key	CANCTKXGRVNXFP-UHFFFAOYSA-N
InChi Code	InChI=1S/C21H21FN2O4S/c1-23(29(27,28)16-9-6-14(22)7-10-16)15-8-11-20-18(12-15)17-4-2-3-5-19(17)24(20)13-21(25)26/h2-7,9-10,15H,8,11-13H2,1H3,(H,25,26)
Chemical Name	2-[3-[(4-fluorophenyl)sulfonyl-methylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
Synonyms	CAY-10471 Racemate; CAY10471 Racemate; CAY 10471 Racemate; TM-30089 Racemate; TM30089 Racemate; TM 30089 Racemate
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
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	CRTH2 ( Ki = 0.6 nM ); DP ( Ki = 1200 nM )
ln Vitro	CAY10471 Racemate (Compound 13) suppresses β-arrestin translocation and inhibits PGD2-induced inositol phosphate or cAMP formation with IC50s of 12 and 3 nM, respectively[1].
References	[1]. Minor structural modifications convert the dual TP/CRTH2 antagonist ramatroban into a highly selective and potent CRTH2 antagonist. J Med Chem. 2005 Feb 24;48(4):897-900.

Solubility Data

Solubility (In Vitro)

DMSO: ~150 mg/mL (~360.2 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.00 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 (6.00 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 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 3: ≥ 2.5 mg/mL (6.00 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	2.4011 mL	12.0057 mL	24.0113 mL
	5 mM	0.4802 mL	2.4011 mL	4.8023 mL
	10 mM	0.2401 mL	1.2006 mL	2.4011 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.