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1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate

1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate structure

CAS No:
1216744-19-2
Formula:
C18H21ClN2O4S
Chemical Name:
1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate
Synonyms:
1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate;GSK 4112;SR6452;GSK4112,SR6452;tert-Butyl2-((4-chlorobenzyl)((5-nitrothiophen-2-yl)methyl)amino)acetate

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1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate Basic Attributes

Molecular Weight：

396.88834

Exact Mass：

396.091

Characteristics

PSA：

104

XLogP3：

4.7

Density：

1.296±0.06 g/cm3(Predicted)

Boiling Point：

486.7±45.0 °C(Predicted)

Storage Conditions：

Store at +4°C

Safety Information

wgk germany：

hazard class code：

41-43

safety instructions：

26-36/37/39

Marks：

Drug Information

MeSH Entry Terms：

GSK4112

1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate Use and Manufacturing

GSK 4112 is a synthetic ligand for REV-ERBα, a member of the nuclear receptor superfamily that functions as a receptor for the porphoryin heme. GSK 4112 mimics the action of heme acting as agonist and suppresses the expression of REV-ERBα target genes involved in gluconeogenesis.

Computed Properties

Molecular Weight:396.9
XLogP3:4.7
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:396.0910560
Monoisotopic Mass:396.0910560
Topological Polar Surface Area:104
Heavy Atom Count:26
Complexity:487
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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GSK4112

CAS No.: 1216744-19-2

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Guide of 1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate

Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
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1,1-Dimethylethyl-N-[(4-chlorophenyl)methyl]-N-[(5-nitro-2-thienyl)methyl])glycinate

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