(2-Amino-4,5,6,7-tetrahydro-3-benzothienyl)(4-chlorophenyl)methanone - CAS 40312-34-3

Name: (2-Amino-4,5,6,7-tetrahydro-3-benzothienyl)(4-chlorophenyl)methanone
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

Technical Data

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