BAF312, CAS No. 800379-64-0, is a next-generation potent sphingosine 1-phosphate (S1P) receptor agonist, selective for S1P1 (EC50 ~0.39 nM) and S1P5 (EC50 ~0.98 nM). As S1P1 plays a central role in lymphocyte egress from lymph nodes and is a validated drug target in immune-mediated diseases, BAF312 is currently in clinical trials to treat multiple sclerosis.

Product information

CAS Number: 800379-64-0

Molecular Weight: 516.60

Formula: C29H35F3N2O3

Synonym:

Siponimod

Chemical Name: (E)-1-(4-(1-(((4-cyclohexyl-3-(trifluoromethyl)benzyl)oxy)imino)ethyl)-2-ethylbenzyl)azetidine-3-carboxylic acid

Smiles: C/C(=N\OCC1C=CC(C2CCCCC2)=C(C=1)C(F)(F)F)/C1C=C(CC)C(CN2CC(C2)C(O)=O)=CC=1

InChiKey: KIHYPELVXPAIDH-HNSNBQBZSA-N

InChi: InChI=1S/C29H35F3N2O3/c1-3-21-14-23(10-11-24(21)15-34-16-25(17-34)28(35)36)19(2)33-37-18-20-9-12-26(22-7-5-4-6-8-22)27(13-20)29(30,31)32/h9-14,22,25H,3-8,15-18H2,1-2H3,(H,35,36)/b33-19+

Technical Data

Appearance: Solid Power.

Purity: ≥98% (or refer to the Certificate of Analysis)

Solubility: DMSO up to 20mM

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical or refer to Certificate of Analysis

Storage Condition: Dry, dark and -20 ^oC for 1 year or refer to the Certificate of Analysis.

Shelf Life: ≥12 months if stored properly.

Stock Solution Storage: 0 - 4 ^oC for 1 month or refer to the Certificate of Analysis.

Drug Formulation: To be determined.

HS Tariff Code: 382200

How to use

In Vitro:

BAF312 was used at 0.1µM in vitro.

In Vivo:

BAF312 was orally dosed once daily at 0.3-3 mg/kg in chronic EAE, DA rats and was shown good efficacy.

References:

1. Gergely P, et al. The selective S1P receptor modulator BAF312 redirects lymphocyte distribution and has species-specific effects on heart rate: translation from preclinical to clinical studies. (2012) Br J Pharmacol. 167(5):1035-47.
2. Pan SF, et al. Discovery of BAF312 (Siponimod), a Potent and Selective S1P Receptor Modulator. (2013) ACS Med. Chem. Lett. In press.
3. Fryer RM, et al. The clinically-tested S1P receptor agonists, FTY720 and BAF312, demonstrate subtype-specific bradycardia (S1P₁) and hypertension (S1P₃) in rat. (2012) PLoS One. (12):e52985.

Products are for research use only. Not for human use.

Documents