854107-55-4 | Ponesimod

Packsize	Purity	Availability	Price	Discounted Price
1mg	98%	in stock	$13.00	$9.00
5mg	98%	in stock	$31.00	$22.00
10mg	98%	in stock	$45.00	$32.00

Description

• Catalog Number: AH51172
• Chemical Name: Ponesimod
• CAS Number: 854107-55-4
• Molecular Formula: C23H25ClN2O4S
• Molecular Weight: 460.9736
• MDL Number: MFCD18207776
• SMILES: CCCN=C1S/C(=C\c2ccc(c(c2)Cl)OC[C@@H](CO)O)/C(=O)N1c1ccccc1C

Computed Properties

• Complexity: 674
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 1
• Heavy Atom Count: 31
• Hydrogen Bond Acceptor Count: 6
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 8
• XLogP3: 4.6

Literature

• Disease modifying therapies for relapsing multiple sclerosis.

  BMJ (Clinical research ed.) 20160822

• Modulators of the Sphingosine 1-phosphate receptor 1.

  Bioorganic & medicinal chemistry letters 20131201

• The selective sphingosine 1-phosphate receptor 1 agonist ponesimod protects against lymphocyte-mediated tissue inflammation.

  The Journal of pharmacology and experimental therapeutics 20110501

• 2-imino-thiazolidin-4-one derivatives as potent, orally active S1P1 receptor agonists.

  Journal of medicinal chemistry 20100527