Imagabalin

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

MedKoo CAT#: 319831

CAS#: 610300-07-7

Description: Imagabalin, also known as PD0332334 and PF-00195889, is a drug which acts as a ligand for the α2δ subunit of the voltage-dependent calcium channel, with some selectivity for the α2δ1 subunit over α2δ2. Imagabalin has demonstrated preclinical efficacy of anxiolytic, analgesic, hypnotic, and anticonvulsant-like activity and is currently in phase III clinical trials for the treatment of generalized anxiety disorder.


Chemical Structure

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Imagabalin
CAS# 610300-07-7

Theoretical Analysis

MedKoo Cat#: 319831
Name: Imagabalin
CAS#: 610300-07-7
Chemical Formula: C9H19NO2
Exact Mass: 173.1416
Molecular Weight: 173.256
Elemental Analysis: C, 62.39; H, 11.05; N, 8.08; O, 18.47

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Synonym: PD 0332334; PD0332334; PD-0332334; PD 332334; PD332334; PD-332334; PF-00195889; PF 00195889; PF00195889; PF-195889; PF 195889; PF195889; Imagabalin.

IUPAC/Chemical Name: (3S,5R)-3-amino-5-methyloctanoic acid

InChi Key: JXEHXYFSIOYTAH-SFYZADRCSA-N

InChi Code: InChI=1S/C9H19NO2/c1-3-4-7(2)5-8(10)6-9(11)12/h7-8H,3-6,10H2,1-2H3,(H,11,12)/t7-,8+/m1/s1

SMILES Code: CCC[C@@H](C)C[C@H](N)CC(O)=O

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, not in water

Shelf Life: >2 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: 2934.99.9001

Preparing Stock Solutions

The following data is based on the product molecular weight 173.256 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

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1: Dunn AL, Codina A, Foley DA, Marquez BL, Zell MT. A detailed mechanistic
investigation into the reaction of 3-methylpentanoic acid with Meldrum's acid
utilizing online NMR spectroscopy. Magn Reson Chem. 2015 Aug 31. doi:
10.1002/mrc.4317. [Epub ahead of print] PubMed PMID: 26332370.

2: Midelfort KS, Kumar R, Han S, Karmilowicz MJ, McConnell K, Gehlhaar DK, Mistry
A, Chang JS, Anderson M, Villalobos A, Minshull J, Govindarajan S, Wong JW.
Redesigning and characterizing the substrate specificity and activity of Vibrio
fluvialis aminotransferase for the synthesis of imagabalin. Protein Eng Des Sel.
2013 Jan;26(1):25-33. doi: 10.1093/protein/gzs065. Epub 2012 Sep 25. PubMed PMID:
23012440.

Imagabalin

10.0mg / Not available