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Chemical structure of PF-3893787 hydrochloride

GC31790

PF-3893787 hydrochloride

Also known as 4-N-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;trihydrochloride

PF-3893787 hydrochloride (PF-3893787 hydrochloride) is a novel histamine H4 receptor antagonist binding affinity (Ki=2·4 nM) and is also a functional (Ki=1·56 nM) antagonist

ChemicalCAS2096455-90-0MW371.74FormulaC13H25Cl3N6
CAS number
2096455-90-0
Molecular weight
371.74
Formula
C13H25Cl3N6
Solubility
DMSO ： ≥ 83·33 mg/mL (224·16 mM)
InChIKey
ZAZAFXLCZSALFI-FYBBWCNBSA-N
Catalogue number
GC31790
Brand
GLPBIO
Computed properties PubChem CID 131801117 · TPSA 79.1 Ų · H-bond donors 6 · H-bond acceptors 6
TPSA
79.1 Ų
H-bond donors
6
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22

SMILES CN[C@@H]1CCN(C1)C2=NC(=NC(=C2)NCC3CC3)N.Cl.Cl.Cl

Computed descriptors from PubChem (CID 131801117), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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