268135

Sigma-Aldrich

trans-4-Stilbenecarboxaldehyde

97%

Linear Formula:
C6H5CH=CHC6H4CHO
CAS Number:
Molecular Weight:
208.26
MDL number:
PubChem Substance ID:
NACRES:
NA.22
Pricing and availability is not currently available.

Quality Level

assay

97%

mp

112-114 °C (lit.)

SMILES string

HC(=O)c1ccc(cc1)\C(H)=C(/H)c2ccccc2

InChI

1S/C15H12O/c16-12-15-10-8-14(9-11-15)7-6-13-4-2-1-3-5-13/h1-12H/b7-6+

InChI key

CLXSBHRRZNBTRT-VOTSOKGWSA-N

General description

The relative binding affinity of trans-4-stilbenecarboxaldehyde was calculated which was used in drug development targeting human estrogen receptor α.

Packaging

5 g in glass bottle

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Statements

Precautionary Statements

Target Organs

Respiratory system

Personal Protective Equipment

dust mask type N95 (US),Eyeshields,Gloves

Hazard Codes

Xi

Risk Statement

36/37/38

Safety Statement

26-37/39

RIDADR

NONH for all modes of transport

WGK Germany

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Miho Y Mizutani et al.
Chemical & pharmaceutical bulletin, 60(2), 183-194 (2012-02-02)
A fast method that can predict the binding affinities of chemicals to a target protein with a high degree of accuracy will be very useful in drug design and regulatory science. We have been developing a scoring function for affinity...

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