CYM50358 (hydrochloride)

CAT: 0804-HY-110314-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-110314-01Size:5 mg

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Description

CYM50358 hydrochloride (compound 4v) is a potent, selective sphingosine-1-phosphate 4 (S1P4) receptor antagonist. CYM50358 hydrochloride can be used in the study of influenza infection[1].

CAS Number

1781750-72-8

UNSPSC

12352005

Hazard Statement

H301-H311-H331

Target

LPL Receptor

Type

Reference compound

Related Pathways

GPCR/G Protein

Applications

COVID-19-immunoregulation

Field of Research

Infection

Assay Protocol

https://www.medchemexpress.com/cym50358-hydrochloride.html

Solubility

10 mM in DMSO

Smiles

O=C(C1=CC=C(O1)C2=C(C=CC(Cl)=C2)Cl)NC3=C(C=C(C=C3C)CN)C.Cl

Molecular Formula

C20H19Cl3N2O2

Molecular Weight

425.74

Precautions

P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P361+P364-P403+P233-P405-P501

References & Citations

[1]Guerrero M, et al. Discovery, design and synthesis of the first reported potent and selective sphingosine-1-phosphate 4 (S1P4) receptor antagonists. Bioorg Med Chem Lett. 2011 Jun 15;21 (12) :3632-6.

Shipping Conditions

Room temperature

Scientific Category

Reference compound1

Clinical Information

No Development Reported

Chemical Information

CYM 50358 hydrochloride

CAS Number	1781750-72-8
PubChem CID	78243726
IUPAC Name	N-[4-(aminomethyl)-2,6-dimethylphenyl]-5-(2,5-dichlorophenyl)furan-2-carboxamide;hydrochloride
Molecular Formula	C20H19Cl3N2O2
Molecular Weight	425.7
Topological Polar Surface Area	68.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	480

SMILES

CC1=CC(=CC(=C1NC(=O)C2=CC=C(O2)C3=C(C=CC(=C3)Cl)Cl)C)CN.Cl

InChI

InChI=1S/C20H18Cl2N2O2.ClH/c1-11-7-13(10-23)8-12(2)19(11)24-20(25)18-6-5-17(26-18)15-9-14(21)3-4-16(15)22;/h3-9H,10,23H2,1-2H3,(H,24,25);1H

InChIKey

OFDSTJOMVDAKCS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1781750-72-8

CID: 78243726

Formula: C20H19Cl3N2O2

MW: 425.7

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	425.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	424.051211
Monoisotopic Mass	424.051211
Topological Polar Surface Area	68.3 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	480
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	2
Compound Is Canonicalized	Yes

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CYM50358 (hydrochloride)

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