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Merck
CN

259276

2-Pentenoic acid

predominantly trans, 98%

Synonym(s):

trans-2-Pentenoic acid

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About This Item

Linear Formula:
C2H5CH=CHCO2H
CAS Number:
13991-37-2
Molecular Weight:
100.12
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24855698
EC Number:
237-791-9
Beilstein/REAXYS Number:
1720312
MDL number:
MFCD00002704

Key Documents

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Product Name

2-Pentenoic acid, predominantly trans, 98%

InChI key

YIYBQIKDCADOSF-ONEGZZNKSA-N

InChI

1S/C5H8O2/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H,6,7)/b4-3+

SMILES string

[H]\C(CC)=C(\[H])C(O)=O

assay

98%

form

liquid

impurities

10% cis isomer (maximum)

refractive index

n20/D 1.452 (lit.)

bp

106 °C/20 mmHg (lit.)

mp

9-11 °C (lit.)

density

0.99 g/mL at 25 °C (lit.)

functional group

carboxylic acid

Quality Level

100

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Application

2-Pentenoic acid has been used in preparation of new nonsteroidal human androgen receptor (hAR) agonists from an hAR antagonist pharmacophore, 2(1H)-piperidino[3,2-g]quinolinone.

pictograms

Corrosion
GHS05

signalword

Danger

hcodes

H314

Hazard Classifications

Skin Corr. 1B

Storage Class

8A - Combustible corrosive hazardous materials

wgk

WGK 3

flash_point_f

215.6 °F - closed cup

flash_point_c

102 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
SDBB2370
STBK7502
STBJ4471
STBH0031
STBF8522V

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L Zhi et al.
Bioorganic & medicinal chemistry letters, 9(7), 1009-1012 (1999-05-07)
New nonsteroidal human androgen receptor (hAR) agonists were developed from an hAR antagonist pharmacophore, 2(1H)-piperidino[3,2-g]quinolinone. (+/-)-trans-7,8-Diethyl-4-trifluoromethyl-2(H)-piperidino-[3,2-g]quinoli none was synthesized and demonstrated potent hAR agonist activity (EC50=3 nM) in the cell-based cotransfection assay and high binding affinity (Ki=16 nM) in the
Maximilian Benz et al.
Nature communications, 11(1), 5391-5391 (2020-10-28)
Acceleration and unification of drug discovery is important to reduce the effort and cost of new drug development. Diverse chemical and biological conditions, specialized infrastructure and incompatibility between existing analytical methods with high-throughput, nanoliter scale chemistry make the whole drug
Norlaily Ahmad et al.
Biomacromolecules, 20(7), 2506-2514 (2019-06-28)
Inflammatory conditions are frequently accompanied by increased levels of active proteases, and there is rising interest in methods for their detection to monitor inflammation in a point of care setting. In this work, new sensor materials for disposable single-step protease
Gilles Brackman et al.
PloS one, 6(1), e16084-e16084 (2011-01-21)
Many bacteria, including Vibrio spp., regulate virulence gene expression in a cell-density dependent way through a communication process termed quorum sensing (QS). Hence, interfering with QS could be a valuable novel antipathogenic strategy. Cinnamaldehyde has previously been shown to inhibit
Joachim Morrens et al.
Neuron, 106(1), 142-153 (2020-02-07)
Dopamine neurons mediate the association of conditioned stimuli (CS) with reward (unconditioned stimuli, US) by signaling the discrepancy between predicted and actual reward during the US. Some theoretical models suggest that learning is also influenced by the salience or associability
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