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FR-168888 mesylate

CAT: 0013-GTR19197586-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197586-01Size:25 mg
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Description
FR-168888 is a potent and selective Na+/H+ exchanger (NHE-1) inhibitor. It demonstrates cardioprotective effects in models of ischemia-reperfusion injury, reducing arrhythmias and myocardial cell death in both in vitro and in vivo experimental research.
CAS Number
168620-46-0
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (NC (=N) N) C=1C=C (C=C (C1) CO) N2C=CC=C2.O=S (=O) (O) C
Molecular Formula
C14H18N4O5S
Molecular Weight
354.38
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

FR-168888

structure in first source

CAS Number168620-46-0
PubChem CID9950470
IUPAC NameN-(diaminomethylidene)-3-(hydroxymethyl)-5-pyrrol-1-ylbenzamide;methanesulfonic acid
Molecular FormulaC14H18N4O5S
Molecular Weight354.38
Topological Polar Surface Area169
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count24
Formal Charge0
Complexity441
SMILES
CS(=O)(=O)O.C1=CN(C=C1)C2=CC(=CC(=C2)C(=O)N=C(N)N)CO
InChI
InChI=1S/C13H14N4O2.CH4O3S/c14-13(15)16-12(19)10-5-9(8-18)6-11(7-10)17-3-1-2-4-17;1-5(2,3)4/h1-7,18H,8H2,(H4,14,15,16,19);1H3,(H,2,3,4)
InChIKey
MONFTTJJXAHULM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FR-168888
CAS: 168620-46-0
CID: 9950470
Formula: C14H18N4O5S
MW: 354.38
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight354.38
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass354.09979086
Monoisotopic Mass354.09979086
Topological Polar Surface Area169 Ų
Heavy Atom Count24
Formal Charge0
Complexity441
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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