MedKoo Cat#: 591998 | Name: Phenyl nicotinate
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Description:

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

Phenyl nicotinate is a biochemical.

Chemical Structure

 Phenyl nicotinate
Phenyl nicotinate
CAS#3468-53-9

Theoretical Analysis

MedKoo Cat#: 591998

Name: Phenyl nicotinate

CAS#: 3468-53-9

Chemical Formula: C12H9NO2

Exact Mass: 199.0633

Molecular Weight: 199.21

Elemental Analysis: C, 72.35; H, 4.55; N, 7.03; O, 16.06

Price and Availability

Size Price Availability Quantity
250mg USD 340.00
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Related CAS #
No Data
Synonym
Phenyl nicotinate; NSC 75878; NSC-75878; NSC75878
IUPAC/Chemical Name
3-Pyridinecarboxylic acid, phenyl ester
InChi Key
QEJPOSAIULNDLU-UHFFFAOYSA-N
InChi Code
InChI=1S/C12H9NO2/c14-12(10-5-4-8-13-9-10)15-11-6-2-1-3-7-11/h1-9H
SMILES Code
O=C(C1=CC=CN=C1)OC2=CC=CC=C2
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
Product Data
Biological target:
Phenyl nicotinate is a biochemical.
In vitro activity:
TBD
In vivo activity:
TBD

Preparing Stock Solutions

The following data is based on the product molecular weight 199.21 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:
TBD
In vitro protocol:
TBD
In vivo protocol:
TBD
1: Uchimura T, Kato M, Shiokawa R, Nabuchi Y, Saito K, Kinoshita H. Estimation of serum protein binding of compounds metabolized in serum using matrix inhibition. Biopharm Drug Dispos. 2008 Jul;29(5):308-10. doi: 10.1002/bdd.610. PubMed PMID: 18496881. 2: Durrer A, Walther B, Racciatti A, Boss G, Testa B. Structure-metabolism relationships in the hydrolysis of nicotinate esters by rat liver and brain subcellular fractions. Pharm Res. 1991 Jul;8(7):832-9. PubMed PMID: 1924134.