Fingolimod

CAT: 1410-M12397-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1410-M12397-02Size:50 mg

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Description

An immunomodulatory agent can be phosphorylated by SphK, then functions as a potent agonist of S1P receptors (S1P1/3/4/5) with EC50 of 0.3-5 nM.

CAS Number

162359-55-9

Stability

≥ 2 years

Purity

>98% (HPLC)

Weight

307.4708

Molecular Formula

C19H33NO2

Notes

Research use only, not for human use.

Receptor

Lysophospholipid Receptor

Chemical Information

Fingolimod

Fingolimod is an aminodiol that consists of propane-1,3-diol having amino and 2-(4-octylphenyl)ethyl substituents at the 2-position. It is a sphingosine 1-phosphate receptor modulator used for the treatment of relapsing-remitting multiple sclerosis. A prodrug, fingolimod is phosphorylated by sphingosine kinase to active metabolite fingolimod-phosphate, a structural analogue of sphingosine 1-phosphate. It has a role as an antineoplastic agent, an immunosuppressive agent, a prodrug, a sphingosine-1-phosphate receptor agonist and a CB1 receptor antagonist. It is an aminodiol and a primary amino compound. It is a conjugate base of a fingolimod(1+).

CAS Number	162359-55-9
PubChem CID	107970
IUPAC Name	2-amino-2-[2-(4-octylphenyl)ethyl]propane-1,3-diol
Molecular Formula	C19H33NO2
Molecular Weight	307.5
XLogP	4.2
Topological Polar Surface Area	66.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Heavy Atom Count	22
Formal Charge	0
Complexity	258

SMILES

CCCCCCCCC1=CC=C(C=C1)CCC(CO)(CO)N

InChI

InChI=1S/C19H33NO2/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)13-14-19(20,15-21)16-22/h9-12,21-22H,2-8,13-16,20H2,1H3

InChIKey

KKGQTZUTZRNORY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 162359-55-9

CID: 107970

Formula: C19H33NO2

MW: 307.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	307.5
XLogP3	4.2
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	12
Exact Mass	307.251129295
Monoisotopic Mass	307.251129295
Topological Polar Surface Area	66.5 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	258
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
MBS3602397-01	Fingolimod
CS-O-02993	Fingolimod-d4
HY-11063R-01	Fingolimod (Standard)
461636	Ortho-Fingolimod
MBS384766-01	FTY720 (Fingolimod)
TRC-F805000-50MG	Fingolimod Hydrochloride
TRC-F151010-500MG	Fingolimod Phosphate
A17798-5000	Fingolimod 5g
A17798-500	Fingolimod 500mg

Fingolimod

Chemical Information

Alternative Products

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