Name: Name:Teijin compound 1 hydrochloride
Brand: AABLOCKS
SKU: AA01ENCC
Rating: 90 (10 reviews)

Catalog No.: AA01ENCC

1313730-14-1 | Teijin compound 1 hydrochloride

Pack Size： 5mg

Purity： ≥98%

in stock

$169.00 $118.00

Pack Size： 10mg

Purity： ≥98%

in stock

$319.00 $223.00

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Technical Information

Catalog Number: AA01ENCC

Chemical Name: Teijin compound 1 hydrochloride

CAS Number: 1313730-14-1

Molecular Formula: C21H22Cl2F3N3O2

Molecular Weight: 476.3195

MDL Number: MFCD16618399

SMILES: O=C(N[C@@H]1CCN(C1)Cc1ccc(cc1)Cl)CNC(=O)c1cccc(c1)C(F)(F)F.Cl

Properties

Complexity: 597

Covalently-Bonded Unit Count: 2

Defined Atom Stereocenter Count: 1

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 31

Hydrogen Bond Acceptor Count: 6

Hydrogen Bond Donor Count: 3

Isotope Atom Count: 0

Rotatable Bond Count: 6

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

Literature fold

Title: Structural insights from binding poses of CCR2 and CCR5 with clinically important antagonists: a combined in silico study.

Journal: PloS one20120101

Title: Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5.

Journal: Molecular pharmacology20090601

Title: Moree WJ, et al. Potent antagonists of the CCR2b receptor. Part 3: SAR of the (R)-3-aminopyrrolidine series. Bioorg Med Chem Lett. 2008 Mar 15;18(6):1869-73.

Title: Hall SE, et al. Elucidation of binding sites of dual antagonists in the human chemokine receptors CCR2 and CCR5. Mol Pharmacol. 2009 Jun;75(6):1325-36.

Title: Calin M, et al. VCAM-1 directed target-sensitive liposomes carrying CCR2 antagonists bind to activated endothelium and reduce adhesion and transmigration of monocytes. Eur J Pharm Biopharm. 2015 Jan;89:18-29.