Ntncb hydrochloride

Base Information

• Chemical Name: Ntncb hydrochloride
• CAS No.: 486453-65-0
• Molecular Formula: C25H34ClN3O4S
• Molecular Weight: 508.07
• ChEMBL ID: CHEMBL1435188
• DSSTox Substance ID: DTXSID70587873
• Mol file: 486453-65-0.mol

Synonyms:NTNCB HYDROCHLORIDE;486453-65-0;191931-56-3;NTNCB (hydrochloride);2-Nitro-N-[[trans-4-[[[(1,2,3,4-tetrahydro-2-naphthalenyl)methyl]amino]methyl]cyclohexyl]methyl]benzenesulfonamide hydrochloride;2-Nitro-N-[[trans-4-[[[(1,2,3,4-tetrahydro-2-naphthalenyl)methyl]amino]methyl]cyclohexyl]methyl]benzenesulfonamidehydrochloride;2-nitro-N-[[4-[(1,2,3,4-tetrahydronaphthalen-2-ylmethylamino)methyl]cyclohexyl]methyl]benzenesulfonamide;hydrochloride;2-Nitro-N-(((1r,4r)-4-((((1,2,3,4-tetrahydronaphthalen-2-yl)methyl)amino)methyl)cyClohexyl)methyl)benzenesulfonamide hydroChloride;CHEMBL1435188;DTXSID70587873;AKOS024456960;AKOS025295365;AKOS040745280;NCGC00092316-01;MS-29441;HY-107733;CS-0029401;2-Nitro-N-{[4-({[(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]amino}methyl)cyclohexyl]methyl}benzene-1-sulfonamide--hydrogen chloride (1/1)

Chemical Property of Ntncb hydrochloride

Chemical Property:

• Vapor Pressure: 1.46E-17mmHg at 25°C
• Refractive Index: ">
• Boiling Point: 658.2°Cat760mmHg
• Flash Point: 351.8°C
• PSA: 112.40000
• Density: g/cm³
• LogP: 7.26200
• Storage Temp.: Store at RT
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 507.1958554
• Heavy Atom Count: 34
• Complexity: 727

Purity/Quality:

99% ^*data from raw suppliers

NTNCB hydrochloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(CCC1CNCC2CCC3=CC=CC=C3C2)CNS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-].Cl
• Uses: NTNCB Hydrochloride was used to study DNA encodoing a hypothalamic atypical neuropeptide Y/peptide YY receptor (Y5).

Technology Process of Ntncb hydrochloride

There total 7 articles about Ntncb hydrochloride 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:

2-Nitrobenzenesulfonyl chloride (1694-92-4) → 2-nitro-N-(4-{[(1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-benzenesulfonamide (486453-65-0)

Guidance literature:

Multi-step reaction with 4 steps

1: TEA / CH₂Cl₂

2: HCl / diethyl ether

3: EDC; DMAP / CH₂Cl₂

4: BH₃ / tetrahydrofuran / Heating

With hydrogenchloride; dmap; TEA; borane; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; diethyl ether; dichloromethane;

DOI:10.1016/S0960-894X(02)00287-1

Reference yield:

{4-[(2-nitro-benzenesulfonylamino)-methyl]-cyclohexylmethyl}-carbamic acid tert-butyl ester → 2-nitro-N-(4-{[(1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-benzenesulfonamide (486453-65-0)

Guidance literature:

Multi-step reaction with 3 steps

1: HCl / diethyl ether

2: EDC; DMAP / CH₂Cl₂

3: BH₃ / tetrahydrofuran / Heating

With hydrogenchloride; dmap; borane; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; diethyl ether; dichloromethane;

DOI:10.1016/S0960-894X(02)00287-1

Reference yield:

trans-((4-aminomethyl)cyclohexylmethyl)carbamic acid tert-butyl ester (166168-16-7) → 2-nitro-N-(4-{[(1,2,3,4-tetrahydro-naphthalen-2-ylmethyl)-amino]-methyl}-cyclohexylmethyl)-benzenesulfonamide (486453-65-0)

Guidance literature:

Multi-step reaction with 4 steps

1: TEA / CH₂Cl₂

2: HCl / diethyl ether

3: EDC; DMAP / CH₂Cl₂

4: BH₃ / tetrahydrofuran / Heating

With hydrogenchloride; dmap; TEA; borane; N-(3-dimethylaminopropyl)-N-ethylcarbodiimide; In tetrahydrofuran; diethyl ether; dichloromethane;

DOI:10.1016/S0960-894X(02)00287-1

upstream raw materials:

1,2,3,4-tetrahydronaphthalene-2-carboxaldehyde

N-(4-aminomethyl-cyclohexylmethyl)-2-nitro-benzenesulfonamide

1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid {4-[(2-nitro-benzenesulfonylamino)-methyl]-cyclohexylmethyl}-amide

1,2,3,4-tetrahydro-2-naphthoic acid