Tandospirone citrate (SM-3997) is a novel, highly potent and selective 5-HT1A receptor partial agonist with Ki of 27 nM, and exhibits selectivity over SR-2, SR-1C, α1, α2, D1 and D2 receptors (Kis ranging from 1300-41000 nM). It may be applied to treat disorders of the central nervous system and their underlying mechanisms.

Physicochemical Properties

Molecular Formula	C₂₇H₃₇N₅O₉
Molecular Weight	575.61
Exact Mass	575.259
CAS #	112457-95-1
Related CAS #	Tandospirone; 87760-53-0
PubChem CID	60558
Appearance	White to off-white solid powder
Boiling Point	613.9ºC at 760 mmHg
Flash Point	325.1ºC
Vapour Pressure	5.23E-15mmHg at 25°C
LogP	0.102
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	11
Heavy Atom Count	41
Complexity	799
Defined Atom Stereocenter Count	4
SMILES	C1C[C@H]2C[C@@H]1[C@H]3[C@@H]2C(=O)N(C3=O)CCCCN4CCN(CC4)C5=NC=CC=N5.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
InChi Key	DMLGUJHNIWGCKM-DPFKZJTMSA-N
InChi Code	InChI=1S/C21H29N5O2.C6H8O7/c27-19-17-15-4-5-16(14-15)18(17)20(28)26(19)9-2-1-8-24-10-12-25(13-11-24)21-22-6-3-7-23-21;7-3(8)1-6(13,5(11)12)2-4(9)10/h3,6-7,15-18H,1-2,4-5,8-14H2;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/t15-,16+,17+,18-;
Chemical Name	2-hydroxypropane-1,2,3-tricarboxylic acid;(1R,2S,6R,7S)-4-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Synonyms	SM-3997 citrate; SM 3997 citrate; SM3997 citrate
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

References	[1]. Analysis of tandospirone (SM-3997) interactions with neurotransmitter receptor binding sites. Biol Psychiatry. 1990 Jul 15;28(2):99-109. [2]. Characterization of the putative anxiolytic SM-3997 recognition sites in rat brain. Life Sci. 1988;42(24):2419-27. [4]. Tandospirone suppresses impulsive action by possible blockade of the 5-HT1A receptor. J Pharmacol Sci. 2013;122(2):84-92.
Additional Infomation	Tandospirone citrate is a citrate salt of tandospirone , comprising equimolar amounts of citric acid and tandospirone. It is an anxiolytic drug used in the treatment of anxiety disorders. It has a role as an anxiolytic drug and an antidepressant. It contains a tandospirone(1+). See also: Tandospirone (annotation moved to).

Solubility Data

Solubility (In Vitro)	H2O: ~31.25 mg/mL (~54.3 mM)
Solubility (In Vivo)	Solubility in Formulation 1: 25 mg/mL (43.43 mM) in PBS (add these co-solvents sequentially from left to right, and one by one), clear solution; with sonication (<60°C).  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	1.7373 mL	8.6864 mL	17.3729 mL
	5 mM	0.3475 mL	1.7373 mL	3.4746 mL
	10 mM	0.1737 mL	0.8686 mL	1.7373 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.