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VU 0357121

VU 0357121 structure

CAS No:
433967-28-3
Formula:
C17H17F2NO2
Chemical Name:
VU 0357121
Synonyms:
VU 0357121;BenzaMide, 4-butoxy-N-(2,4-difluorophenyl)-;4-Butoxy-N-(2,4-difluorophenyl)benzamide;VU0357121/VU-0357121
Categories:
Biochemical Engineering > Inhibitors

Description

VU0357121 is a novel positive and highly selective allosteric modulator (PAM) of mGlu5R with EC50 of 33 nM.IC50 Value: 33 nM(EC50)Target: mGluR5in vitro: VU0357121 do not bind at the MPEP allosteric site of mGlu5, thus do not possess mGlu5 NAM activity. The A809V/rmGlu5 mutation inhibited the ability of VU0357121 to shift the glutamate concentration?response curve, whereas the response to VU0357121 is not altered by the F585I/rmGlu5 mutation. VU0357121 show weaker cooperativity in the Ca

VU 0357121 Basic Attributes

Molecular Weight：

305.3191864

Exact Mass：

305.122742

DSSTox ID：

DTXSID10367833

Characteristics

PSA：

38.3

XLogP3：

4.2

Density：

1.2±0.1 g/cm3

Flash Point：

158.7±27.9 °C

Refractive Index：

1.564

Water Solubility：

DMSO: ≥18mg/mL

Storage Conditions：

2-8°C

Safety Information

Packing level：

Ⅲ

Transport codes：

UN 3077 9 / PGIII

wgk germany：

hazard class code：

50/53

safety instructions：

60-61

Marks：

Precautionary statement(s)：

P273-P501

Hazard Statements：

H410

Drug Information

MeSH Entry Terms：

4-butoxy-N-(2,4-difluorophenyl)benzamide

VU 0357121 Use and Manufacturing

mGlu5 is an allosteric modulators that bind to a yet uncharacterized allosteric site on mGlu5, distinct from CPPHA, yet share a functional interaction with the MPEP site.

Computed Properties

Molecular Weight:305.32
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:305.12273511
Monoisotopic Mass:305.12273511
Topological Polar Surface Area:38.3
Heavy Atom Count:22
Complexity:346
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes