Ketanserin (CAS 74050-98-9)

Appearance :

Crystalline powder

Physical State :

Solid

Solubility :

Soluble in water (<1 mg/ml at 25 °C), DMSO (2 mg/ml at 25 °C), ethanol (<1 mg/ml at 25 °C), DMF (10 mg/ml), and methanol.

Storage :

Store at room temperature

Melting Point :

228-232° C

Boiling Point :

607.53° C (Predicted)

Density :

1.28 g/cm³ at 20° C

Refractive Index :

n²⁰_D 1.59 (Predicted)

IC50 :

Serotonin 2 receptor: IC₅₀ = 1.2 nM (rat); SR-2A: IC₅₀ = 2.5 nM (human); Adenosine A3-R: IC₅₀ = 2.7 nM (human); SR-2A: IC₅₀ = 3.4 nM (rat); Adrenergic receptor α-1: IC₅₀ = 15 nM (rat)

Ki Data :

SR-2A: K_i= 0.2 nM (human); Serotonin 2 receptor: K_i= 0.4 nM (rat); SR-2A: K_i= 0.49 nM (rat); Histamine H1 Receptor: K_i= 2 nM (human); D4DR: K_i= 3.5 nM (human)

pK Values :

pK_a: 12.83 (Predicted), pK_b: 6.26

WGK Germany :

3

RTECS :

VA1411190

Transport :

UN 3249, Class 6.1, Packing group III

PubChem CID :

Merck Index :

14: 5296

MDL Number :

MFCD00083392

EC Number :

277-680-2

Beilstein Registry :

4913068

SMILES :

C1CN(CCC1C(=O)C2=CC=C(C=C2)F)CCN3C(=O)C4=CC=CC=C4NC3=O