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Merck
CN

SML2497

BIO 1211 trifluoroacetate salt

≥97% (HPLC)

别名:

2-MPUPA-LDVP trifluoroacetate, 4-(N′-(2-Methylphenyl)urea)-phenylacetyl-LDVP trifluoroacetate, BIO-1211 trifluoroacetate, BIO1211 trifluoroacetate, N-[2-[4-[[[(2-Methylphenyl)amino]carbonyl]amino]phenyl]acetyl]-L-leucyl-L-α-aspartyl-L-valyl-L-proline trifluoroacetate, N-[[4-[[[(2-Methylphenyl)amino]carbonyl]amino]-phenyl]acetyl]-LDVP trifluoroacetate, N-[[4-[[[(2-Methylphenyl)amino]carbonyl]amino]-phenyl]acetyl]-Leu-Asp-Val-Pro trifluoroacetate, N-[[4-[[[(2-Methylphenyl)amino]carbonyl]amino]-phenyl]acetyl]-fibronectin CS-1 fragment (1980-1983) trifluoroacetate

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关于此项目

经验公式(希尔记法):
C36H48N6O9 · xC2HF3O2
化学文摘社编号:
分子量:
708.80 (free base basis)
MDL编号:
UNSPSC代码:
12352200
NACRES:
NA.77
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方案

≥97% (HPLC)

表单

film
lyophilized powder

储存条件

desiccated

颜色

white to beige

运输

wet ice

储存温度

−20°C

SMILES字符串

N3([C@@H](CCC3)C(=O)O)C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)Cc1ccc(cc1)NC(=O)Nc2c(cccc2)C)CC(C)C)CC(=O)O)C(C)C

InChI

1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1

InChI key

NVVGCQABIHSJSQ-KFZSMJGVSA-N

生化/生理作用

BIO 1211 is a selective, tight-binding α4β1 (VLA-4, very late antigen-4; koff = 1.4 x 10-4/s, KD = 70 pM) integrin antagonist (VCAM-Ig Jurkat surface binding IC50 = 1 nM; integrin-mediated cell adhesion IC50 = 4 nM/α4β1, 2 μM/α4β7, >100 μM/α1β1, α5β1, α6β1, αLβ2, αIIBβ3) based on the Leu-Asp-Val (LDV) sequence from the alternatively spliced connecting segment-1 (CS-1) of fibronectin (aa 1980-1983). In addition to probing α4β1-mediated cellular responses, BIO 1211 is also widely used in animal disease models in vivo, including MS (5-10 mg/kg; murine EAE) and asthma (1-10 mg/kg via intranasal or nebulizer to mice, rats, sheep; 3 mg/sheep iv.).
Potent and selective α4β1 integrin (VLA-4) antagonist for probing α4β1-mediated cellular & pathological responses in vitro and in vivo.

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

法规信息

常规特殊物品
此项目有

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Wei-Sheng Chen et al.
Nature communications, 7, 11302-11302 (2016-04-14)
Lymphangiogenesis plays a pivotal role in diverse pathological conditions. Here, we demonstrate that a carbohydrate-binding protein, galectin-8, promotes pathological lymphangiogenesis. Galectin-8 is markedly upregulated in inflamed human and mouse corneas, and galectin-8 inhibitors reduce inflammatory lymphangiogenesis. In the mouse model
Nourollah Ramroodi et al.
Immunological investigations, 44(7), 694-712 (2015-10-06)
Some functional limitations and economic burden of therapeutic antibodies indicated that introducing of alternative therapeutic compounds with same or different mechanism of action could be worthwhile. In this regard small-molecule antagonists can have a wide range of impacts, so in
Gloria C Koo et al.
American journal of respiratory and critical care medicine, 167(10), 1400-1409 (2003-02-06)
A nonpeptidyl small molecule antagonist, compound A, to nonactivated very late antigen-4 (VLA4) was examined in lung inflammation induced by a single dose of ovalbumin challenge. Compound A presented a good pharmacokinetic property, when given intratracheally, and the blood cells
K c Lin et al.
Journal of medicinal chemistry, 42(5), 920-934 (1999-03-12)
Integrin alpha4beta1 mediates leukocyte recruitment, activation, mediator release, and apoptosis inhibition, and it plays a central role in inflammatory pathophysiology. High-affinity, selective inhibitors of alpha4beta1, based on the Leu-Asp-Val (LDV) sequence from the alternatively spliced connecting segment-1 (CS-1) peptide of
B V Karanam et al.
Xenobiotica; the fate of foreign compounds in biological systems, 37(5), 487-502 (2007-05-25)
BIO1211 is a small peptidyl potent antagonist of the activated form of alpha4beta1 integrin. The effect of enalapril on the in vitro and in vivo cleavage of BIO1211 was investigated. In heparinized blood, plasma and rat liver, lung and intestinal

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