ACT-209905 | CAS#1062670-13-6 | S1P1 agonist

MedKoo Cat#: 530562 | Name: ACT-209905

Description:

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

ACT-209905 is a S1P1 agonist.

Chemical Structure

ACT-209905

CAS#1062670-13-6

Theoretical Analysis

MedKoo Cat#: 530562

Name: ACT-209905

CAS#: 1062670-13-6

Chemical Formula: C26H35N5O5

Exact Mass: 497.2638

Molecular Weight: 497.60

Elemental Analysis: C, 62.76; H, 7.09; N, 14.07; O, 16.08

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

ACT-209905; ACT 209905; ACT209905.

IUPAC/Chemical Name

(S)-N-(3-(4-(5-(2-(diethylamino)-6-methylpyridin-4-yl)-1,2,4-oxadiazol-3-yl)-2-ethyl-6-methylphenoxy)-2-hydroxypropyl)-2-hydroxyacetamide

InChi Key

PAYSGEHZLXEURH-NRFANRHFSA-N

InChi Code

InChI=1S/C26H35N5O5/c1-6-18-11-19(9-16(4)24(18)35-15-21(33)13-27-23(34)14-32)25-29-26(36-30-25)20-10-17(5)28-22(12-20)31(7-2)8-3/h9-12,21,32-33H,6-8,13-15H2,1-5H3,(H,27,34)/t21-/m0/s1

SMILES Code

CC1=CC(C2=NOC(C3=CC(N(CC)CC)=NC(C)=C3)=N2)=CC(CC)=C1OC[C@@H](O)CNC(CO)=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

>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

More Info

1. Novel S1P1 receptor agonists - Part 4: Alkylaminomethyl substituted aryl head groups. By Lescop, Cyrille; Muller, Claus; Mathys, Boris; Birker, Magdalena; de Kanter, Ruben; Kohl, Christopher; Hess, Patrick; Nayler, Oliver; Rey, Markus; Sieber, Patrick; et al. From European Journal of Medicinal Chemistry (2016), 116, 222-238. | Language: English, Database: CAPLUS 2. Novel S1P1 receptor agonists - Part 5: From amino-to alkoxy-pyridines. By Bolli, Martin H.; Lescop, Cyrille; Birker, Magdalena; de Kanter, Ruben; Hess, Patrick; Kohl, Christopher; Nayler, Oliver; Rey, Markus; Sieber, Patrick; Velker, Jorg; et al. From European Journal of Medicinal Chemistry (2016), 115, 326-341. | Language: English, Database: CAPLUS 3. Novel S1P1 Receptor Agonists - Part 3: From Thiophenes to Pyridines. By Bolli, Martin H.; Abele, Stefan; Birker, Magdalena; Bravo, Roberto; Bur, Daniel; de Kanter, Ruben; Kohl, Christopher; Grimont, Julien; Hess, Patrick; Lescop, Cyrille; et al From Journal of Medicinal Chemistry (2014), 57(1), 110-130. | Language: English, Database: CAPLUS 4. Complexity-Based Metric for Process Mass Intensity in the Pharmaceutical Industry . By Kjell, Douglas P.; Watson, Ian A.; Wolfe, Chad N.; Spitler, Jeremy T. From Organic Process Research & Development (2013), 17(2), 169-174. | Language: English, Database: CAPLUS 5. Practical and scalable synthesis of S1P1 receptor agonist ACT-209905. By Schmidt, Gunther; Reber, Stefan; Bolli, Martin H.; Abele, Stefan From Organic Process Research & Development (2012), 16(4), 595-604. | Language: English, Database: CAPLUS 6. Preparation of aminopyridine derivatives, particularly 3-(aminopyridinyl)-5-(alkoxyphenyl)-1,2,4-oxadiazoles, as immunomodulating S1P1/EDG1 receptor agonists. By Bolli, Martin; Mathys, Boris; Mueller, Claus; Nayler, Oliver; Steiner, Beat; Velker, Joerg From PCT Int. Appl. (2008), WO 2008114157 A1 20080925. | Language: English, Database: CAPLUS

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 497.60 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.