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FR-A 19

CAT: 0013-GTR19197570-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197570-02Size:50 mg
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Description
FR-A 19 is a potent histamine H2 receptor agonist that suppresses IgE-mediated histamine release from human basophils at nanomolar concentrations. This small molecule is a valuable research tool for investigating allergic mechanisms and anti-allergic drug candidates in both in vitro and in vivo experimental models.
CAS Number
141099-46-9
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
FC1=CC=C (CCCN (CCCC2=CC=C (C=C2) F) C (NCCCC3=CN=CN3) =N) C=C1.Cl.Cl.Cl
Molecular Formula
C25H34Cl3F2N5
Molecular Weight
548.93
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

FR-A 19

RN given refers to tri-HCl; RN for parent cpd not avail 10/92; histamine H2 agonist

CAS Number141099-46-9
PubChem CID3036096
IUPAC Name1,1-bis[3-(4-fluorophenyl)propyl]-2-[3-(1H-imidazol-5-yl)propyl]guanidine;trihydrochloride
Molecular FormulaC25H34Cl3F2N5
Molecular Weight548.9
Topological Polar Surface Area70.3
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Heavy Atom Count35
Formal Charge0
Complexity502
SMILES
C1=CC(=CC=C1CCCN(CCCC2=CC=C(C=C2)F)C(=NCCCC3=CN=CN3)N)F.Cl.Cl.Cl
InChI
InChI=1S/C25H31F2N5.3ClH/c26-22-11-7-20(8-12-22)4-2-16-32(17-3-5-21-9-13-23(27)14-10-21)25(28)30-15-1-6-24-18-29-19-31-24;;;/h7-14,18-19H,1-6,15-17H2,(H2,28,30)(H,29,31);3*1H
InChIKey
CEMRYHAKTHXVLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of FR-A 19
CAS: 141099-46-9
CID: 3036096
Formula: C25H34Cl3F2N5
MW: 548.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight548.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count4
Rotatable Bond Count13
Exact Mass547.184786
Monoisotopic Mass547.184786
Topological Polar Surface Area70.3 Ų
Heavy Atom Count35
Formal Charge0
Complexity502
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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