MedKoo Cat#: 530559 | Name: ASP-4058 free base

Description:

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

ASP-4058 is a novel agonist for sphingosine 1-phosphate receptors 1 and 5. ASP-4058 ameliorates rodent experimental autoimmune encephalomyelitis with a favorable safety profile. ASP4058 preferentially activates S1P1 and S1P5 compared with S1P2, 3, 4 in GTPγS binding assays in vitro. ASP4058 prevented relapse of disease in a mouse model of relapsing-remitting EAE. Although these immunomodulatory effects were comparable to those of fingolimod, ASP4058 showed a wider safety margin than fingolimod for bradycardia and bronchoconstriction in rodents.

Chemical Structure

ASP-4058 free base
ASP-4058 free base
CAS#952565-91-2 (free base)

Theoretical Analysis

MedKoo Cat#: 530559

Name: ASP-4058 free base

CAS#: 952565-91-2 (free base)

Chemical Formula: C19H12F6N4O2

Exact Mass: 442.0864

Molecular Weight: 442.32

Elemental Analysis: C, 51.59; H, 2.73; F, 25.77; N, 12.67; O, 7.23

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.
Bulk Inquiry
Related CAS #
952510-14-4 (HCl)
Synonym
ASP-4058; ASP 4058; ASP4058.
IUPAC/Chemical Name
5-(5-(3-(Trifluoromethyl)-4-(((2S)-1,1,1-trifluoropropan-2-yl)oxy)phenyl)-1,2,4-oxadiazol-3-yl)-1H-benzimidazole
InChi Key
NJNXCJPSMWKXHO-VIFPVBQESA-N
InChi Code
InChI=1S/C19H12F6N4O2/c1-9(18(20,21)22)30-15-5-3-11(6-12(15)19(23,24)25)17-28-16(29-31-17)10-2-4-13-14(7-10)27-8-26-13/h2-9H,1H3,(H,26,27)/t9-/m0/s1
SMILES Code
C[C@H](OC1=CC=C(C2=NC(C3=CC=C4C(N=CN4)=C3)=NO2)C=C1C(F)(F)F)C(F)(F)F
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

Preparing Stock Solutions

The following data is based on the product molecular weight 442.32 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
1: Yamamoto R, Okada Y, Hirose J, Koshika T, Kawato Y, Maeda M, Saito R, Hattori K, Harada H, Nagasaka Y, Morokata T. ASP4058, a novel agonist for sphingosine 1-phosphate receptors 1 and 5, ameliorates rodent experimental autoimmune encephalomyelitis with a favorable safety profile. PLoS One. 2014 Oct 27;9(10):e110819. doi: 10.1371/journal.pone.0110819. eCollection 2014 Oct 27. PubMed PMID: 25347187; PubMed Central PMCID: PMC4210206.