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A 987306

CAT: 0013-GTR19201559-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19201559-01Size:25 mg
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Description
A-987306 is a potent, orally bioavailable histamine H4 receptor antagonist with Kis of 3.4 nM (rat) and 5.8 nM (human) . It demonstrates anti-inflammatory efficacy in a murine peritonitis model, supporting its utility for researching H4 receptor function in inflammation and immune response pathways.
CAS Number
1082954-71-9
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
NC=1N=C2C=3[C@]4 ([C@@] (OC3CCC2=C (N1) N5CCNCC5) (CCCC4) [H]) [H]
Molecular Formula
C18H25N5O
Molecular Weight
327.42
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A-987306
CAS Number1082954-71-9
PubChem CID44538833
IUPAC Name(7aR,11aR)-4-piperazin-1-yl-5,6,7a,8,9,10,11,11a-octahydro-[1]benzofuro[2,3-h]quinazolin-2-amine
Molecular FormulaC18H25N5O
Molecular Weight327.4
XLogP1.3
Topological Polar Surface Area76.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity518
SMILES
C1CC[C@@H]2[C@H](C1)C3=C(O2)CCC4=C3N=C(N=C4N5CCNCC5)N
InChI
InChI=1S/C18H25N5O/c19-18-21-16-12(17(22-18)23-9-7-20-8-10-23)5-6-14-15(16)11-3-1-2-4-13(11)24-14/h11,13,20H,1-10H2,(H2,19,21,22)/t11-,13+/m0/s1
InChIKey
DJKJVWJQAVGLHJ-WCQYABFASA-N
Chemical Structure
2D Structure
2D structure of A-987306
CAS: 1082954-71-9
CID: 44538833
Formula: C18H25N5O
MW: 327.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight327.4
XLogP31.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass327.20591044
Monoisotopic Mass327.20591044
Topological Polar Surface Area76.3 Ų
Heavy Atom Count24
Formal Charge0
Complexity518
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
B7451-50A 987306
574336A-987306
254492-01A 987306 discontinued

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