(2-Amino-4,5,6,7-tetrahydro-3-benzothienyl)(4-chlorophenyl)methanone - CAS 40312-34-3
Catalog: |
BB024443 |
Product Name: |
(2-Amino-4,5,6,7-tetrahydro-3-benzothienyl)(4-chlorophenyl)methanone |
CAS: |
40312-34-3 |
Synonyms: |
(2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-chlorophenyl)methanone; (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-chlorophenyl)methanone |
IUPAC Name: | (2-amino-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)-(4-chlorophenyl)methanone |
Description: | (2-Amino-4,5,6,7-tetrahydro-3-benzothienyl)(4-chlorophenyl)methanone (CAS# 40312-34-3) is an allosteric enhancer of A1 adenosine receptor. T62 is useful in the treatment of patients with neuropathic pain. |
Molecular Weight: | 291.80 |
Molecular Formula: | C15H14ClNOS |
Canonical SMILES: | C1CCC2=C(C1)C(=C(S2)N)C(=O)C3=CC=C(C=C3)Cl |
InChI: | InChI=1S/C15H14ClNOS/c16-10-7-5-9(6-8-10)14(18)13-11-3-1-2-4-12(11)19-15(13)17/h5-8H,1-4,17H2 |
InChI Key: | OTZVBZFYMFTYKH-UHFFFAOYSA-N |
Boiling Point: | 527 °C at 760 mmHg |
Density: | 1.337 g/cm3 |
MDL: | MFCD02738687 |
LogP: | 4.67470 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2010247366-A1 | Thieno [2, 3-b] pyridine derivatives as viral replication inhibitors | 20090515 |
CA-2759500-A1 | Thieno [2,3-b]pyridine derivatives as viral replication inhibitors | 20090515 |
EP-2430029-A1 | Thieno [2, 3-b]pyridine derivatives as viral replication inhibitors | 20090515 |
EP-2430029-B1 | Thieno[2,3-b]pyridine derivatives as viral replication inhibitors | 20090515 |
JP-2012526778-A | Novel viral replication inhibitor | 20090515 |
PMID | Publication Date | Title | Journal |
19850474 | 20091201 | Mining biologically-active molecules for inhibitors of fatty acid amide hydrolase (FAAH): identification of phenmedipham and amperozide as FAAH inhibitors | Bioorganic & medicinal chemistry letters |
16321527 | 20060301 | Synthesis and biological characterization of [3H] (2-amino-4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)-(4-chlorophenyl)-methanone, the first radiolabelled adenosine A1 allosteric enhancer | Bioorganic & medicinal chemistry letters |
15140630 | 20040503 | Pharmacological characterization of the chronic constriction injury model of neuropathic pain | European journal of pharmacology |
15114225 | 20040501 | Spinal adenosine receptor activation reduces hypersensitivity after surgery by a different mechanism than after nerve injury | Anesthesiology |
15087633 | 20040401 | Repeated dosing with oral allosteric modulator of adenosine A1 receptor produces tolerance in rats with neuropathic pain | Anesthesiology |
Complexity: | 343 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.0484629 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.0484629 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 71.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5 |
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Benzofuran/Benzothiophene
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