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Adriforant hydrochloride

CAT: 0013-GTR19205149-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19205149-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Adriforant hydrochloride is a selective histamine H4 receptor antagonist. It is a valuable research tool for investigating the role of the H4 receptor in immunological and inflammatory processes, applicable in both in vitro binding assays and in vivo models of allergic inflammation.
CAS Number
2096455-90-0
Field of Research
Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery
Smiles
Cl.Cl.Cl.CN[C@@H]1CCN (C1) c1cc (NCC2CC2) nc (N) n1
Molecular Formula
C13H25Cl3N6
Molecular Weight
371.74
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-3893787 hydrochloride
CAS Number2096455-90-0
PubChem CID131801117
IUPAC Name4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;trihydrochloride
Molecular FormulaC13H25Cl3N6
Molecular Weight371.7
Topological Polar Surface Area79.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity295
SMILES
CN[C@@H]1CCN(C1)C2=NC(=NC(=C2)NCC3CC3)N.Cl.Cl.Cl
InChI
InChI=1S/C13H22N6.3ClH/c1-15-10-4-5-19(8-10)12-6-11(17-13(14)18-12)16-7-9-2-3-9;;;/h6,9-10,15H,2-5,7-8H2,1H3,(H3,14,16,17,18);3*1H/t10-;;;/m1.../s1
InChIKey
ZAZAFXLCZSALFI-FYBBWCNBSA-N
Chemical Structure
2D Structure
2D structure of PF-3893787 hydrochloride
CAS: 2096455-90-0
CID: 131801117
Formula: C13H25Cl3N6
MW: 371.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.7
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass370.120628
Monoisotopic Mass370.120628
Topological Polar Surface Area79.1 Ų
Heavy Atom Count22
Formal Charge0
Complexity295
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count4
Compound Is CanonicalizedYes

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