4-Phenylbutyric acid
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MedKoo CAT#: 591864

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

Description: 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

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

Theoretical Analysis

MedKoo Cat#: 591864
Name: 4-Phenylbutyric acid
CAS#: 1821-12-1 (free acid)
Chemical Formula: C10H12O2
Exact Mass: 164.08
Molecular Weight: 164.200
Elemental Analysis: C, 73.15; H, 7.37; O, 19.49

Price and Availability

Size Price Availability Quantity
20g USD 450 2 Weeks
100g USD 1650 2 Weeks
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Related CAS #: 1821-12-1 (free acid)   1716-12-7 (sodium)    

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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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