501-81-5 | 3-Pyridylacetic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$16.00	$11.00
1g	95%	in stock	$29.00	$20.00
5g	95%	in stock	$83.00	$58.00
25g	≥ 99% (HPLC)	in stock	$335.00	$235.00
100g	≥ 99% (HPLC)	in stock	$790.00	$553.00
250g	≥ 99% (HPLC)	in stock	$1,351.00	$946.00

Description

• Catalog Number: AI51212
• Chemical Name: 3-Pyridylacetic acid
• CAS Number: 501-81-5
• Molecular Formula: C7H7NO2
• Molecular Weight: 137.1360
• MDL Number: MFCD00066302
• SMILES: OC(=O)Cc1cccnc1
• NSC Number: 70769

Computed Properties

• Complexity: 125
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: -0.1

Literature

• Poly[trans-diaquabis-[μ(2)-2-(pyridin-3-yl)acetato-κN:O]-zinc].

  Acta crystallographica. Section E, Structure reports online 20111001

• Inhibition of 1-deoxy-D-xylulose-5-phosphate reductoisomerase by lipophilic phosphonates: SAR, QSAR, and crystallographic studies.

  Journal of medicinal chemistry 20110714

• Limited expression of cytochrome p450 17α-hydroxylase/17,20-lyase in prostate cancer cell lines.

  Korean journal of urology 20110701

• Instability of 2,2-di(pyridin-2-yl)acetic acid. Tautomerization versus decarboxylation.

  Journal of molecular modeling 20110401

• Discovery of a 3-pyridylacetic acid derivative (TAK-100) as a potent, selective and orally active dipeptidyl peptidase IV (DPP-4) inhibitor.

  Journal of medicinal chemistry 20110210

• New insights into the androgen-targeted therapies and epigenetic therapies in prostate cancer.

  Prostate cancer 20110101

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101

• An analytical method for the measurement of acid metabolites of tryptophan-NAD pathway and related acids in urine.

  Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20100415

• Analysis of risedronate and related substances by ion-pair reversed-phase high-performance liquid chromatography with evaporative light-scattering detection.

  Analytical sciences : the international journal of the Japan Society for Analytical Chemistry 20100101

• CYP17 blockade by abiraterone: further evidence for frequent continued hormone-dependence in castration-resistant prostate cancer.

  British journal of cancer 20090310

• Reaction of the tobacco alkaloid myosmine with hydrogen peroxide.

  Chemical research in toxicology 20060101

• Metabolism of myosmine in Wistar rats.

  Drug metabolism and disposition: the biological fate of chemicals 20051101

• Hormonal impact of the 17alpha-hydroxylase/C(17,20)-lyase inhibitor abiraterone acetate (CB7630) in patients with prostate cancer.

  British journal of cancer 20040614

• Molecular identification of high and low affinity receptors for nicotinic acid.

  The Journal of biological chemistry 20030314