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Mocravimod hydrochloride

CAT: 0931-T12086-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T12086-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
509088-69-1
Target
LPL Receptor
Related Pathways
GPCR/G Protein
Purity
0.9
Bioactivity
Mocravimod hydrochloride (KRP-203) is an effecitive and orally active agonist of sphingosine 1-phosphate receptor type 1 (S1PR1) .
Smiles
Cl.NC(CO)(CO)CCc1ccc(Sc2cccc(OCc3ccccc3)c2)cc1Cl
Molecular Formula
C24H27Cl2NO3S
Molecular Weight
480.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

1,3-Propanediol, 2-amino-2-(2-(2-chloro-4-((3-(phenylmethoxy)phenyl)thio)phenyl)ethyl)-, hydrochloride (1:1)

Mocravimod Hydrochloride is the hydrochloride salt form of mocravimod, 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 Number509088-69-1
PubChem CID11155873
IUPAC Name2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol;hydrochloride
Molecular FormulaC24H27Cl2NO3S
Molecular Weight480.4
Topological Polar Surface Area101
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Heavy Atom Count31
Formal Charge0
Complexity487
SMILES
C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)N)Cl.Cl
InChI
InChI=1S/C24H26ClNO3S.ClH/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;1H
InChIKey
MYIFLDFUXIHOCJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Propanediol, 2-amino-2-(2-(2-chloro-4-((3-(phenylmethoxy)phenyl)thio)phenyl)ethyl)-, hydrochloride (1:1)
CAS: 509088-69-1
CID: 11155873
Formula: C24H27Cl2NO3S
MW: 480.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count10
Exact Mass479.1088703
Monoisotopic Mass479.1088703
Topological Polar Surface Area101 Ų
Heavy Atom Count31
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 Count2
Compound Is CanonicalizedYes

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