215802-15-6 Usage
Indole ring
A five-membered aromatic ring with a nitrogen atom at position 1, contributing to the compound's aromaticity and potential pharmacological activity.
Carboxamide group
A polar functional group (-CONH2) attached to the indole ring, which may contribute to hydrogen bonding and solubility in water.
Cyclohexyl ring
A six-membered saturated carbon ring, providing a hydrophobic character and structural support for the molecule.
Trans-4-[2-(7-cyano-3,4-dihydro-2(1H)-isoquinolinyl)ethyl] moiety
A structural feature that includes a cyano group (-CN) and a dihydro-isoquinoline core, which may be responsible for the compound's potential pharmacological activity, particularly in the context of neurological or psychiatric disorders.
Potential pharmacological activity
The presence of the dihydro-isoquinoline moiety suggests that this compound may have activity related to neurological or psychiatric disorders, as it is a common structural feature in many psychopharmacological agents.
Need for further research
The specific biological and pharmacological properties of this complex compound are not yet fully understood, and additional studies are required to determine its potential therapeutic applications.
Check Digit Verification of cas no
The CAS Registry Mumber 215802-15-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,1,5,8,0 and 2 respectively; the second part has 2 digits, 1 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 215802-15:
(8*2)+(7*1)+(6*5)+(5*8)+(4*0)+(3*2)+(2*1)+(1*5)=106
106 % 10 = 6
So 215802-15-6 is a valid CAS Registry Number.
215802-15-6Relevant articles and documents
Structure-Activity Study of N -((trans)-4-(2-(7-Cyano-3,4-dihydroisoquinolin-2(1 H)-yl)ethyl)cyclohexyl)-1 H -indole-2-carboxamide (SB269652), a Bitopic Ligand That Acts as a Negative Allosteric Modulator of the Dopamine D2 Receptor
Shonberg, Jeremy,Draper-Joyce, Christopher,Mistry, Shailesh N.,Christopoulos, Arthur,Scammells, Peter J.,Lane, J. Robert,Capuano, Ben
, p. 5287 - 5307 (2015/08/03)
We recently demonstrated that SB269652 (1) engages one protomer of a dopamine D2 receptor (D2R) dimer in a bitopic mode to allosterically inhibit the binding of dopamine at the other protomer. Herein, we investigate structural determinants for allostery, focusing on modifications to three moieties within 1. We find that orthosteric "head" groups with small 7-substituents were important to maintain the limited negative cooperativity of analogues of 1, and replacement of the tetrahydroisoquinoline head group with other D2R "privileged structures" generated orthosteric antagonists. Additionally, replacement of the cyclohexylene linker with polymethylene chains conferred linker length dependency in allosteric pharmacology. We validated the importance of the indolic NH as a hydrogen bond donor moiety for maintaining allostery. Replacement of the indole ring with azaindole conferred a 30-fold increase in affinity while maintaining negative cooperativity. Combined, these results provide novel SAR insight for bitopic ligands that act as negative allosteric modulators of the D2R.
