WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H573296
CAS#: 952510-14-4
Description: Asp-4058 hydrochloride is an agonist for sphingosine 1-phosphate receptors 1 and 5. ASP-4058 ameliorates experimental autoimmune encephalomyelitis and 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.
Hodoodo Cat#: H573296
Name: Asp-4058 hydrochloride
CAS#: 952510-14-4
Chemical Formula: C19H13ClF6N4O2
Exact Mass: 478.06
Molecular Weight: 478.780
Elemental Analysis: C, 47.66; H, 2.74; Cl, 7.40; F, 23.81; N, 11.70; O, 6.68
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Related CAS #: 952565-91-2 (free base)
Synonym: Asp-4058 hydrochloride, Asp4058 hydrochloride, Asp-4058 HCl, Asp4058 HCl
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 hydrochloride
InChi Key: KRUYZACYZSOZCV-FVGYRXGTSA-N
InChi Code: 1S/C19H12F6N4O2.ClH/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);1H/t9-;/m0./s1
SMILES Code: Cl.C[C@H](Oc1ccc(cc1C(F)(F)F)c2onc(n2)c3ccc4[nH]cnc4c3)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: >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: 2934.99.9001
More Info:
| Biological target: | |
| In vitro activity: | |
| In vivo activity: |
The following data is based on the product molecular weight 478.78 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 |
| Formulation protocol: | |
| In vitro protocol: | |
| In vivo protocol: |
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.
