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Chemical structure of Teijin compound 1

GC17834

Teijin compound 1

Also known as N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride

Teijin compound 1 (Teijin compound 1 hydrochloride) is a potent and specific CCR2 antagonist, with IC50s of 180 nM for CCR2b

ChemicalCAS1313730-14-1MW476.32FormulaC21H21ClF3N3O2·HCl
CAS number
1313730-14-1
Molecular weight
476.32
Formula
C21H21ClF3N3O2·HCl
Solubility
DMSO： 100 mM,Water： 10 mM
InChIKey
PGUQBBISBKGQDC-GMUIIQOCSA-N
Catalogue number
GC17834
Brand
GLPBIO
Computed properties PubChem CID 56972239 · TPSA 61.4 Ų · H-bond donors 3 · H-bond acceptors 6
TPSA
61.4 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
31

SMILES C1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)Cl.Cl

Computed descriptors from PubChem (CID 56972239), 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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