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T7330

Sigma-Aldrich

Teijin compound 1 hydrochloride

≥98% (HPLC), powder

Synonym(s):

N-[2-[[(3R)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide hydrochloride

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About This Item

Empirical Formula (Hill Notation):
C21H21ClF3N3O2·HCl
CAS Number:
Molecular Weight:
476.32
MDL number:
UNSPSC Code:
51111800
PubChem Substance ID:
NACRES:
NA.77

Pricing and availability is not currently available.

Assay

≥98% (HPLC)

form

powder

color

white to tan

solubility

DMSO: ≥20 mg/mL

storage temp.

2-8°C

SMILES string

Cl.FC(F)(F)c1cccc(c1)C(=O)NCC(=O)N[C@@H]2CCN(C2)Cc3ccc(Cl)cc3

InChI

1S/C21H21ClF3N3O2.ClH/c22-17-6-4-14(5-7-17)12-28-9-8-18(13-28)27-19(29)11-26-20(30)15-2-1-3-16(10-15)21(23,24)25;/h1-7,10,18H,8-9,11-13H2,(H,26,30)(H,27,29);1H/t18-;/m1./s1

InChI key

PGUQBBISBKGQDC-GMUIIQOCSA-N

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BAF367380010BAF367380050BAF367380100
material

stainless steel

material

stainless steel

material

stainless steel

material

stainless steel

manufacturer/tradename

Bel-Art F36738-1700

manufacturer/tradename

Bel-Art F36738-0010

manufacturer/tradename

Bel-Art F36738-0050

manufacturer/tradename

Bel-Art F36738-0100

Overall L

14 in. (355 mm)

Overall L

3 in. (75 mm)

Overall L

4.375 in. (110 mm)

Overall L

7.125 in. (180 mm)

bowl L

9 in. (230 mm)

bowl L

1.75 in. (45 mm)

bowl L

2.75 in. (70 mm)

bowl L

4 in. (100 mm)

bowl diam.

5.375 in. (135 mm)

bowl diam.

1 in. (25 mm)

bowl diam.

1.5 in. (38 mm)

bowl diam.

2 in. (50 mm)

Application

Studies have reported that Trp982.60, Thr2927.40, His1213.33 and Ile2636.55 of Teijin compound 1 significantly affect the antagonistic functions of the compound at CCR2[1].

Biochem/physiol Actions

Teijin compound 1 is CCR2b receptor antagonist
Teijin compound 1 is CCR2b receptor antagonist. Teijin compound 1 inhibits cell chemotaxis induced by MCP-1. The chemokine receptors CCR2 is G protein-coupled receptors (GPCR), and is mainly expressed in monocytes, immature dendritic cells, activated T-lymphocytes and basophils.

Preparation Note

Teijin compound 1 hydrochloride is soluble in DMSO at a concentration that is greater than or equal to 20 mg/ml.

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable


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Spencer E Hall et al.
Molecular pharmacology, 75(6), 1325-1336 (2009-03-20)
Design of dual antagonists for the chemokine receptors CCR2 and CCR5 will be greatly facilitated by knowledge of the structural differences of their binding sites. Thus, we computationally predicted the binding site of the dual CCR2/CCR5 antagonist N-dimethyl-N-[4-[[[2-(4-methylphenyl)-6,7-dihydro-5H-benzohepten-8-yl] carbonyl]amino]benzyl]tetrahydro-2H-pyran-4-aminium (TAK-779)

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