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Mocravimod

CAT: 1410-M14745-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M14745-02Size:5 mg
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Description
A synthetic immunosuppressant that functions as a S1P1 receptor agonist.
CAS Number
509092-16-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
443.986
Molecular Formula
C24H26ClNO3S
Notes
Research use only, not for human use.
Receptor
Lysophospholipid Receptor

Chemical Information

Mocravimod

Mocravimod is a sphingosine 1-phosphate (S1P) receptor agonist, with potential immunosuppressive activity. Upon administration of mocravimod, this agent binds to S1P receptors on lymphocytes, which prevents binding of serum S1P to S1P receptors and leads to S1P receptor internalization. This reduces the number of circulating blood leukocytes and accelerates lymphocyte homing into peripheral lymph nodes, thereby preventing their infiltration into peripheral inflammatory sites. This agent also decreases the production of inflammatory cytokines by lymphocytes, such as interferon gamma (IFN-g), interleukin-12 (IL-12), and tumor necrosis factor (TNF).

CAS Number509092-16-4
PubChem CID11155874
IUPAC Name2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol
Molecular FormulaC24H26ClNO3S
Molecular Weight444.0
XLogP4.3
Topological Polar Surface Area101
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count30
Formal Charge0
Complexity487
SMILES
C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)N)Cl
InChI
InChI=1S/C24H26ClNO3S/c25-23-14-22(10-9-19(23)11-12-24(26,16-27)17-28)30-21-8-4-7-20(13-21)29-15-18-5-2-1-3-6-18/h1-10,13-14,27-28H,11-12,15-17,26H2
InChIKey
IINUNQPYJGJCJI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Mocravimod
CAS: 509092-16-4
CID: 11155874
Formula: C24H26ClNO3S
MW: 444.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight444.0
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass443.1321926
Monoisotopic Mass443.1321926
Topological Polar Surface Area101 Ų
Heavy Atom Count30
Formal Charge0
Complexity487
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5777777Mocravimod
HY-13660-01Mocravimod (hydrochloride)
T12086-01Mocravimod hydrochloride

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