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L03978 4-Acetylbutyric acid, 97%

CAS Number
3128-06-1
Synonyms
5-Ketohexanoic acid
5-Oxohexanoic acid

Stock No. Size Price ($) Quantity Availability
L03978-06 5g 40.30
L03978-14 25g 133.00
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4-Acetylbutyric acid, 97%

MDL
MFCD00004412
EINECS
221-511-7

Chemical Properties

Formula
CH3CO(CH2)3CO2H
Formula Weight
130.14
Melting point
12-14°
Boiling Point
274-275°
Flash Point
>110°(230°F)
Density
1.100
Refractive Index
1.4451
Storage & Sensitivity
Ambient temperatures.
Solubility
Slightly soluble in water, chloroform and methanol.

Applications

4-Acetylbutyric acid is used in the synthesis of selective indomethacin analogues for AKR1C3 inhibition in the treatment of castrate-resistant prostate cancer. It is also used to prepare PARP inhibitors for the treatment of cancer.

Notes

Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Incompatible with oxidizing agents.

Literature References

Andy J. Liedtke; Adegoke O. Adenij; Mo Chen; Michael C. Byrns; Yi Jin; David W. Christianson; Lawrence J. Marnett and Trevor M. Penning. Development of Potent and Selective Indomethacin Analogues for the Inhibition of AKR1C3 (Type 5 17β-Hydroxysteroid Dehydrogenase/Prostaglandin F Synthase) in Castrate-Resistant Prostate Cancer.J. Med. Chem.2013, 56 (6), 2429-2446.

GHS Hazard and Precautionary Statements

Hazard Statements: H315-H319

Causes skin irritation. Causes serious eye irritation.

Precautionary Statements: P264b-P280-P302+P352-P305+P351+P338-P332+P313-P362

Wash face, hands and any exposed skin thoroughly after handling Wear protective gloves/protective clothing/eye protection/face protection. IF ON SKIN: Wash with plenty of soap and water. IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If skin irritation occurs: Get medical advice/attention. Take off contaminated clothing and wash before reuse.

Other References

Beilstein
385840
Harmonized Tariff Code
2918.30
TSCA
Yes

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