SB269970 HCl

Base Information

• Chemical Name: SB269970 HCl
• CAS No.: 261901-57-9
• Molecular Formula: C₁₈H₂₈N₂O₃S*ClH
• Molecular Weight: 388.959
• Hs Code.: 2935009090
• UNII: DKP3XMW7KV
• DSSTox Substance ID: DTXSID501017392
• Pharos Ligand ID: YBAQJ18AUZPX
• ChEMBL ID: CHEMBL1256844
• Mol file: 261901-57-9.mol

Synonyms:(r)-3-[2-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl]phenol hydrochloride;SB 269970A, (R)-3-[2-[2-(4-Methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl]phenol hydrochloride;SB-269970A;(R)-3-((2-(2-(4-Methylpiperidin-1-yl)ethyl)pyrrolidin-1-yl)sulfonyl)phenol hydrochloride;(2R)-1-[(3-Hydroxyphenyl)sulfonyl]-2-[2-(4-methyl-1-piperidinyl)ethyl]pyrrolidine monohydrochloride;Phenol, 3-[[(2R)-2-[2-(4-methyl-1-piperidinyl)ethyl]-1-pyrrolidinyl]sulfonyl]-, hydrochloride (1:1);SB269970 hydrochloride, >=98%

Chemical Property of SB269970 HCl

Chemical Property:

• PSA: 69.23000
• LogP: 4.42590
• Storage Temp.: 2-8°C
• Solubility.: H2O: soluble10mg/mL, clear (warmed to 60 °C)
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 388.1587417
• Heavy Atom Count: 25
• Complexity: 497

Purity/Quality:

98%,99%, ^*data from raw suppliers

SB269970AHydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CCN(CC1)CCC2CCCN2S(=O)(=O)C3=CC=CC(=C3)O.Cl
• Isomeric SMILES: CC1CCN(CC1)CC[C@H]2CCCN2S(=O)(=O)C3=CC=CC(=C3)O.Cl
• Description: The transduction of neurobehavioral effects by serotonin (5-hydroxy tryptamine; 5-HT) is mediated by at least seven major 5-HT receptor subtypes. SB-269970 is a potent 5-HT7A antagonist (pKi = 8.9) that demonstrates >50-fold binding selectivity over 5-HT5A and >250-fold selectivity over 5-HT1, 5-HT2, 5-HT4, 5-HT6, adrenergic α1, dopamine D2, and dopamine D3 receptors. It is also reported to block adrenergic α2 receptors in guinea pig vas deferens. SB-269970 has been used to target the 5-HT7 receptor in the study of schizophrenia-like cognitive deficits.
• Uses: SB 269970A is a selective 5-HT7 receptor antagonist.

Technology Process of SB269970 HCl

There total 1 articles about SB269970 HCl which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-benzyloxybenzenesulfonyl chloride (162711-45-7) + (R)-2-[2-(4-methyl-piperidin-1-yl)ethyl]pyrrolidine (201039-15-8) → SB 269970 A (261901-57-9)

Guidance literature:

Multi-step reaction with 2 steps

1: sodium hydroxide / diethyl ether; water / 0 - 20 °C

2: hydrogenchloride; 10% palladium on activated carbon; hydrogen / ethanol; water / 72 h / 20 °C / 750.08 Torr

With hydrogenchloride; 10% palladium on activated carbon; hydrogen; sodium hydroxide; In diethyl ether; ethanol; water;

DOI:10.1080/00397910902737155

upstream raw materials:

3-benzyloxybenzenesulfonyl chloride

(R)-2-[2-(4-methyl-piperidin-1-yl)ethyl]pyrrolidine

Refernces