95211-68-0

Basic information

• Product Name: 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
• Synonyms: TIMTEC-BB SBB007023;ASISCHEM W76235;ART-CHEM-BB B006830;2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE;2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID AMIDE;1-BENZOTHIOPHENE-3-CARBOXAMIDE, 2-AMINO-4,5,6,7-TETRAHYDRO-6-METHYL-;AKOS BB-8580;AKOS B006830
• CAS NO: 95211-68-0
• Molecular Formula: C₁₀H₁₄N₂OS
• Molecular Weight: 210.3
• Mol File: 95211-68-0.mol
• Article Data: 2

Chemical Properties

• Melting Point: 177-181℃
• Boiling Point: 336.143 °C at 760 mmHg
• Flash Point: 157.094 °C
• Appearance: /
• Density: 1.261 g/cm³
• Vapor Pressure: 0.000114mmHg at 25°C
• Refractive Index: 1.629
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• PKA: 15.70±0.40(Predicted)
• CAS DataBase Reference: 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE(95211-68-0)
• EPA Substance Registry System: 2-AMINO-6-METHYL-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE(95211-68-0)

Safety Data

• Hazard Codes: Xi,T
• Statements: 25-36/37/38
• Safety Statements: 45-36/37/39-26
• HazardClass: IRRITANT
• Hazardous Substances Data: 95211-68-0(Hazardous Substances Data)

Usage

Chemical Properties

Pale yellow solid

InChI:InChI=1/C10H14N2OS/c1-5-2-3-6-7(4-5)14-10(12)8(6)9(11)13/h5H,2-4,12H2,1H3,(H2,11,13)/t5-/m1/s1

Upstream product

• 589-92-4 1-methylcyclohexan-4-one 
• 107-91-5 cyanoacetic acid amide 

Downstream Products

• 354542-05-5 6-methyl-2-{[(2-nitrophenyl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide 
• 328038-12-6 C₁₇H₁₇N₃O₄S 
• 353787-06-1 C₁₇H₁₇N₃O₄S 
• 1207188-38-2 2-(3-methoxyphenyl)-5,6,7,8-tetrahydro-7-methyl-[1]benzothieno[2,3-d]pyrimidin-4(1H)-one 
• 1082126-41-7 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-7-methyl-[1]benzothieno[2,3-d]pyrimidin-4(1H)-one 
• 137438-43-8 5-Amino-3-methylsulfanyl-1-(7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-1H-pyrazole-4-carboxylic acid ethyl ester 
• 137438-25-6 N-(7-Methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-N'-[1-(3,4,5-trimethoxy-phenyl)-meth-(E)-ylidene]-hydrazine 
• 137438-40-5 8-Methyl-3-(2-nitro-phenyl)-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene 
• 137438-39-2 3-(3,4-Dichloro-phenyl)-8-methyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluorene 
• 137438-29-0 N-(7-Methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-N'-[1-(2-nitro-phenyl)-meth-(E)-ylidene]-hydrazine 
• 137438-33-6 N-[1-(4-Isobutyl-phenyl)-eth-(E)-ylidene]-N'-(7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazine 
• 137438-38-1 Dimethyl-[4-(8-methyl-7,8,9,10-tetrahydro-6-thia-1,2,3a,5-tetraaza-cyclopenta[c]fluoren-3-yl)-phenyl]-amine 
• 137438-30-3 4-[(7-Methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazonomethyl]-benzene-1,3-diol 
• 137438-32-5 2-Methoxy-4-[(7-methyl-5,6,7,8-tetrahydro-benzo[4,5]thieno[2,3-d]pyrimidin-4-yl)-hydrazonomethyl]-phenol 

Relevant articles and documents

Identification of PDE4B Over 4D subtype-selective inhibitors revealing an unprecedented binding mode

A PDE4B over 4D-selective inhibitor programme was initiated to capitalise on the recently discovered predominance of the PDE4B subtype in inflammatory cell regulation. The SAR of a tetrahydrobenzothiophene (THBT) series did not agree with either of two proposed docking modes in the 4B binding site. A subsequent X-ray co-crystal structure determination revealed that the THBT ligand displaces the Gln-443 residue, invariably ligand-anchoring in previous PDE4 co-crystal structures, and even shifts helix-15 by 1-2 A. For the first time, several residues of the C-terminus previously proposed to be involved in subtype selectivity are resolved and three of them extend into the ligand binding site potentially allowing for selective drug design.