RO5527239 | CAS#1354812-99-9 | GPBAR1 agonist

MedKoo Cat#: 563186 | Name: RO5527239

Description:

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

RO5527239 is a potent, orally available GPBAR1 agonist.

Chemical Structure

RO5527239

CAS#1354812-99-9

Theoretical Analysis

MedKoo Cat#: 563186

Name: RO5527239

CAS#: 1354812-99-9

Chemical Formula: C28H31N3O3

Exact Mass: 457.2365

Molecular Weight: 457.57

Elemental Analysis: C, 73.50; H, 6.83; N, 9.18; O, 10.49

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.

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Related CAS #

No Data

Synonym

RO5527239; RO-5527239; RO 5527239;

IUPAC/Chemical Name

(R,Z)-1-(4-(3-(hydroxyimino)-3-(2-methylpyridin-4-yl)-1-(o-tolyl)propyl)phenyl)piperidine-4-carboxylic acid

InChi Key

FYRQRNSTHCHLNF-OOBIRXJLSA-N

InChi Code

InChI=1S/C28H31N3O3/c1-19-5-3-4-6-25(19)26(18-27(30-34)23-11-14-29-20(2)17-23)21-7-9-24(10-8-21)31-15-12-22(13-16-31)28(32)33/h3-11,14,17,22,26,34H,12-13,15-16,18H2,1-2H3,(H,32,33)/b30-27-/t26-/m1/s1

SMILES Code

O=C(C1CCN(C2=CC=C([C@H](C3=CC=CC=C3C)C/C(C4=CC(C)=NC=C4)=N/O)C=C2)CC1)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

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 457.57 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

1: Dehmlow H, Alvarez Sánchez R, Bachmann S, Bissantz C, Bliss F, Conde-Knape K, Graf M, Martin RE, Obst Sander U, Raab S, Richter HG, Sewing S, Sprecher U, Ullmer C, Mattei P. Discovery and optimisation of 1-hydroxyimino-3,3-diphenylpropanes, a new class of orally active GPBAR1 (TGR5) agonists. Bioorg Med Chem Lett. 2013 Aug 15;23(16):4627-32. doi: 10.1016/j.bmcl.2013.06.017. Epub 2013 Jun 19. PubMed PMID: 23831134. 2: Ullmer C, Alvarez Sanchez R, Sprecher U, Raab S, Mattei P, Dehmlow H, Sewing S, Iglesias A, Beauchamp J, Conde-Knape K. Systemic bile acid sensing by G protein-coupled bile acid receptor 1 (GPBAR1) promotes PYY and GLP-1 release. Br J Pharmacol. 2013 Jun;169(3):671-84. doi: 10.1111/bph.12158. PubMed PMID: 23488746; PubMed Central PMCID: PMC3682713.