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icanbelimod , CAS No.1514888-56-2, Agonist of S1P 1 receptor

Name: icanbelimod , CAS No.1514888-56-2, Agonist of S1P 1 receptor
Price: 37.9 USD
Availability: InStock

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1514888-56-2
Molecular Weight: 409.45
PubChem CID: 117972004

In stock

Item Number

I610916

Grouped product items
SKU	Size	Availability	Price
I610916-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$37.90
I610916-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$122.90
I610916-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$197.90
I610916-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$354.90
I610916-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$540.90
I610916-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$743.90

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Class A GPCR (4138) GPCR/G Protein (3172) LPL Receptor (113) S1P1 receptor Agonist (32)

Synonyms	3-Azetidinecarboxylic acid, 1-((2-fluoro-4-(5-(4-(2-methylpropyl)phenyl)-1,2,4-oxadiazol-3-yl)phenyl)methyl)- \| GTPL12098 \| AKOS037515529 \| compound 2 [WO2015039587A1]
Specifications & Purity	Moligand™, ≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	AGONIST
Mechanism of action	Agonist of S1P 1 receptor
Product Description	Icanbelimod (S1p receptor agonist 1) is a potent S1P receptor agonist, exhibits an activity of inducing S1P1 internalization (EC50=9.83 nM). Icanbelimod has the potential for the study of arthritis and EAE (experimental autoimmune encephalitis). Icanbelimod is extracted from patent WO2015039587A1, Compound 2.

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Oxadiazoles
Intermediate Tree Nodes	1,2,4-oxadiazoles
Direct Parent	Phenyloxadiazoles
Alternative Parents	Phenylpropanes Phenylmethylamines Benzylamines Fluorobenzenes Azetidinecarboxylic acids Aralkylamines Heteroaromatic compounds Trialkylamines Amino acids Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organofluorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Phenyl-1,2,4-oxadiazole - Phenylpropane - Phenylmethylamine - Benzylamine - Aralkylamine - Halobenzene - Fluorobenzene - Azetidinecarboxylic acid - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid - Tertiary aliphatic amine - Tertiary amine - Azetidine - Amino acid or derivatives - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenyloxadiazoles. These are polycyclic aromatic compounds containing a benzene ring linked to a 1,2,4-oxadiazole ring through a CC or CN bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

IUPAC Name	1-[[2-fluoro-4-[5-[4-(2-methylpropyl)phenyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]azetidine-3-carboxylic acid
INCHI	InChI=1S/C23H24FN3O3/c1-14(2)9-15-3-5-16(6-4-15)22-25-21(26-30-22)17-7-8-18(20(24)10-17)11-27-12-19(13-27)23(28)29/h3-8,10,14,19H,9,11-13H2,1-2H3,(H,28,29)
InChIKey	YBIFMTGYWXNIRZ-UHFFFAOYSA-N
Smiles	Fc1c(ccc(c1)c1noc(n1)c1ccc(cc1)CC(C)C)CN1CC(C1)C(=O)O
Isomeric SMILES	CC(C)CC1=CC=C(C=C1)C2=NC(=NO2)C3=CC(=C(C=C3)CN4CC(C4)C(=O)O)F
Molecular Weight	409.45

Molecular Weight	409.500 g/mol
XLogP3	2.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	409.18 Da
Monoisotopic Mass	409.18 Da
Topological Polar Surface Area	79.500 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	578.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

icanbelimod , CAS No.1514888-56-2, Agonist of S1P 1 receptor

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