Bctc

Base Information

• Chemical Name: Bctc
• CAS No.: 393514-24-4
• Molecular Formula: C₂₀H₂₅ClN₄O
• Molecular Weight: 372.898
• European Community (EC) Number: 803-977-9
• DSSTox Substance ID: DTXSID90432997
• Nikkaji Number: J2.025.877B
• Wikidata: Q27074955
• Pharos Ligand ID: XW3DLZC36U7M
• ChEMBL ID: CHEMBL441472
• Mol file: 393514-24-4.mol

Synonyms:BCTC cpd;N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide;N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)tetrahydropyrazine-1(2H)-carboxamide

Chemical Property of Bctc

Chemical Property:

• Melting Point: 150-152℃
• Boiling Point: 561.6±50.0 °C(Predicted)
• PKA: 13.95±0.70(Predicted)
• PSA: 48.47000
• Density: 1.229±0.06 g/cm3(Predicted)
• LogP: 4.46250
• Storage Temp.: Store at RT
• Sensitive.: Light Sensitive
• Solubility.: DMSO: >10mg/mL
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 372.1716891
• Heavy Atom Count: 26
• Complexity: 465

Purity/Quality:

99% ^*data from raw suppliers

BCTC ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)C3=C(C=CC=N3)Cl
• Description: BCTC (393514-24-4) is a vanilloid receptor I (TRPV1) blocker, IC50 = 35 nM for capsaicin-induced and 6 nM for acid-induced TRPV1 activation. Displays analgesic activity in rat models of neuropathic pain. BCTC is orally active and cell permeable.
• Uses: BCTC is a antagonists of TRPA1 and TRPV1, a non-selective cation channel gated by noxious heat, vanilloids and extracellular protons. BCTC inhibits both capsaicin and proton activation.

Technology Process of Bctc

There total 2 articles about Bctc 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:

4-(t-butyl)phenyl isocyanate (1943-67-5) + 1-(3-chloro-2-pyridyl)piperazine (87394-55-6) → N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide (393514-24-4)

Guidance literature:

In dichloromethane; at 20 ℃; for 2h;

DOI:10.1016/S0960-894X(03)00759-5

Reference yield:

2,3-dichloro-pyridine (2402-77-9) → N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)piperazine-1-carboxamide (393514-24-4)

Guidance literature:

Multi-step reaction with 2 steps

1: dimethylsulfoxide / 6 h / 100 °C

2: CH₂Cl₂ / 2 h / 20 °C

In dichloromethane; dimethyl sulfoxide;

DOI:10.1016/S0960-894X(03)00759-5

upstream raw materials:

4-(t-butyl)phenyl isocyanate

1-(3-chloro-2-pyridyl)piperazine

2,3-dichloro-pyridine

Refernces