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Merck
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重要文件

T7330

Sigma-Aldrich

Teijin compound 1 hydrochloride

≥98% (HPLC), powder

同義詞:

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

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About This Item

經驗公式(希爾表示法):
C21H21ClF3N3O2·HCl
CAS號碼:
分子量::
476.32
MDL號碼:
分類程式碼代碼:
51111800
PubChem物質ID:
NACRES:
NA.77
暫時無法取得訂價和供貨情況

化驗

≥98% (HPLC)

形狀

powder

顏色

white to tan

溶解度

DMSO: ≥20 mg/mL

儲存溫度

2-8°C

SMILES 字串

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 密鑰

PGUQBBISBKGQDC-GMUIIQOCSA-N

應用

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].

生化/生理作用

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.

準備報告

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

儲存類別代碼

11 - Combustible Solids

水污染物質分類(WGK)

WGK 3

閃點(°F)

Not applicable

閃點(°C)

Not applicable


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分析證明 (COA)

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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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