WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H591864
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..
Hodoodo Cat#: H591864
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
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:
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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.
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: |