CAS 1230487-00-9

Siponimod

Description:

Siponimod is a synthetic compound primarily used in the treatment of multiple sclerosis, particularly for its ability to modulate the immune system. It functions as a sphingosine-1-phosphate receptor modulator, specifically targeting S1P receptors, which play a crucial role in lymphocyte trafficking and immune response. This mechanism helps to reduce the number of circulating lymphocytes, thereby mitigating inflammatory processes associated with multiple sclerosis. Siponimod is characterized by its relatively high oral bioavailability and a half-life that allows for once-daily dosing. The compound exhibits a favorable pharmacokinetic profile, with metabolism primarily occurring in the liver via cytochrome P450 enzymes. Its safety profile includes common side effects such as headache, hypertension, and elevated liver enzymes, necessitating monitoring during treatment. Overall, Siponimod represents a significant advancement in the therapeutic options available for managing multiple sclerosis, offering a targeted approach to disease modification.

Formula: C₂₉H₃₅F₃N₂O₃

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+

InChI key: InChIKey=KIHYPELVXPAIDH-HNSNBQBZSA-N

SMILES: C(F)(F)(F)C1=C(C=CC(CO/N=C(\C)/C2=CC(CC)=C(CN3CC(C(O)=O)C3)C=C2)=C1)C4CCCCC4

Synonyms:

• 3-Azetidinecarboxylic acid, 1-[[4-[(1E)-1-[[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-
• 1-[[4-[(1E)-1-[[[4-Cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]imino]ethyl]-2-ethylphenyl]methyl]-3-azetidinecarboxylic acid
• BAF 312
• Siponimod
• 1-(4-[1-[(E)-4-Cyclohexyl-3-trifluoromethyl-benzyloxyimino]-ethyl]-2-ethyl-benzyl)-azetidine-3-carboxylic acid

BAF-312(SiponiMod)

CAS: 1230487-00-9

Formula: C₂₉H₃₅F₃N₂O₃

Purity: 99%

Color and Shape: Solid

Molecular weight: 516.5950

Ref: IN-DA009CK8

Siponimod Trifluoroacetate

CAS: 1230487-00-9, 1234627-85-0

Formula: C₂₉H₃₅F₃N₂O₃·C₂HF₃O₂

Molecular weight: 516.61 114.02

Ref: 4Z-S-146001

(E)-1-(4-(1-(((4-Cyclohexyl-3-(Trifluoromethyl)Benzyl)Oxy)Imino)Ethyl)-2-Ethylbenzyl)Azetidine-3-Carboxylic Acid

CAS: 1230487-00-9

(E)-1-(4-(1-(((4-Cyclohexyl-3-(Trifluoromethyl)Benzyl)Oxy)Imino)Ethyl)-2-Ethylbenzyl)Azetidine-3-Carboxylic Acid

Purity: 98%

Molecular weight: 516.6g/mol

Ref: 54-PC108454

Siponimod

CAS: 1230487-00-9

Siponimod

Purity: ≥95%

Molecular weight: 516.59g/mol

Ref: 54-BUP13132

Siponimod-d5

CAS: 1230487-00-9

Formula: C₂₉H₃₀D₅F₃N₂O₃

Molecular weight: 521.64

Ref: 4Z-S-146002

Siponimod

CAS: 1230487-00-9

Siponimod (BAF312) modulates S1P1/S1P5 with EC50s of 0.39/0.98 nM; >1000x selectivity over S1P2-4.

Formula: C₂₉H₃₅F₃N₂O₃

Purity: 99.13% - 99.8%

Color and Shape: Solid

Molecular weight: 516.59

Ref: TM-T6403

Siponimod

Controlled Product

CAS: 1230487-00-9

Applications Siponimod is a functional sphingosine -1 phosphate (SIP) antagonist used in the treatment of multiple sclerosis and other central nervous system-related diseases in human subjects. .
References Pelz, A., et al.: Eur. J. Immunol., 48, 498 (2018); O'Sullivan, S., et al.: Neuropharmacology, 113, 597 (2017)

Formula: C₂₉H₃₅F₃N₂O₃

Color and Shape: Light Yellow

Molecular weight: 516.6

Ref: TR-S683660

Siponimod

CAS: 1230487-00-9

Sphingosine-1-phosphate receptor modulator

Formula: C₂₉H₃₅F₃N₂O₃

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 516.6 g/mol

Ref: 3D-FS103613

Siponimod N-Oxide

Controlled Product

CAS: 1230487-00-9

Formula: C₂₉H₃₅F₃N₂O₄

Color and Shape: Neat

Molecular weight: 532.6

Ref: TR-S374890

Siponimod-D11

Controlled Product

CAS: 1230487-00-9

Formula: C₂₉D₁₁H₂₄F₃N₂O₃

Color and Shape: Neat

Molecular weight: 527.663

Ref: TR-S683662