T7330
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
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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
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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