MedKoo Cat#: 591864 | Name: 4-Phenylbutyric acid
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Phenylbutyrate is a prodrug used to treat urea cycle disorders, because its metabolites offer an alternative pathway to the urea cycle to allow excretion of excess nitrogen. Phenylbutyrate is also a histone deacetylase inhibitor and chemical chaperone, leading respectively to research into its use as an anti-cancer agent and in protein misfolding diseases such as cystic fibrosis..

Chemical Structure

 4-Phenylbutyric acid
4-Phenylbutyric acid
CAS#1821-12-1 (free acid)

Theoretical Analysis

MedKoo Cat#: 591864

Name: 4-Phenylbutyric acid

CAS#: 1821-12-1 (free acid)

Chemical Formula: C10H12O2

Exact Mass: 164.0837

Molecular Weight: 164.20

Elemental Analysis: C, 73.15; H, 7.37; O, 19.49

Price and Availability

Size Price Availability Quantity
25g USD 250.00 2 Weeks
100g USD 650.00 2 Weeks
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Synonym
4-Phenylbutyric acid; AI3-12065; AI3 12065; AI312065;
IUPAC/Chemical Name
4-Phenylbutyric acid
InChi Key
OBKXEAXTFZPCHS-UHFFFAOYSA-N
InChi Code
InChI=1S/C10H12O2/c11-10(12)8-4-7-9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,12)
SMILES Code
O=C(O)CCCC1=CC=CC=C1
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 164.20 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL