187735-94-0

187735-94-0 structure

Name: BIO 1211
Chemical Name: (2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CAS Number: 187735-94-0
Molecular Formula: C₃₆H₄₈N₆O₉
Molecular Weight: 708.80100
Catalog: Signaling Pathways Cytoskeleton Integrin
Create Date: 2016-02-10 03:05:31
Modify Date: 2024-01-08 16:37:31
BIO-1211 is a high selective α4β1 (VLA-4) inhibitor, with IC50 values of 4 nM and 2 μM for α4β1 and α4β7, respectively[1][2][3].

Name	(2S)-1-[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-4-methyl-2-[[2-[4-[(2-methylphenyl)carbamoylamino]phenyl]acetyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
Synonyms	bio-1211 unii-61g4e2353i BIO1211

Description	BIO-1211 is a high selective α4β1 (VLA-4) inhibitor, with IC50 values of 4 nM and 2 μM for α4β1 and α4β7, respectively[1][2][3].
Related Catalog	Research Areas >> Inflammation/Immunology Signaling Pathways >> Cytoskeleton >> Integrin
Target	α4β1:4 nM (IC50) α4β7:2 μM (IC50) α1β1:>100 μM (IC50) α5β1:>100 μM (IC50) α6β1:>100 μM (IC50) αLβ2:>100 μM (IC50) αIIbβ3:>100 μM (IC50)
In Vivo	BIO-1211 (5 and 10 mg/kg, orally, once every other day) results in reduced cytokines expression, leukocyte trafficking, and inhibition of inflammatory responses in EAE in a dose-independent manner. BIO-1211 exhibits a considerable depletion in the EAE clinical score, which correlated with decreased expression of TNF-α, IL-17, IFN-γ and pervade of CD11b+ and CD45+ cells into the cerebral cortex[2]. Animal Model: Naive, C57BL/6 mice (male, 8 weeks old, 20-25 g weight)[2]. Dosage: 5 and 10 mg/kg. Administration: Orally once every other day starting the day before immunization until day 21 post-immunization. Result: Could prevent the induction of EAE. Significantly delayed the onset of EAE and reduced the severity of clinical EAE compared to the vehicle group. Markedly reduced the expression of both CD11b and CD45 in comparison with the vehicle group. mRNA and soluble form of a subset of target inflammatory cytokines (IFNγ, IL-17, and TNF-α) was dramatically decreased.
References	[1]. L L Chen, et al. Multiple activation states of integrin alpha4beta1 detected through their different affinities for a small molecule ligand. J Biol Chem. 1999 May 7;274(19):13167-75. [2]. Nourollah Ramroodi, et al. Prophylactic Effect of BIO-1211 Small-Molecule Antagonist of VLA-4 in the EAE Mouse Model of Multiple Sclerosis. Immunol Invest. 2015;44(7):694-712. [3]. K c Lin, et al. Selective, tight-binding inhibitors of integrin alpha4beta1 that inhibit allergic airway responses. J Med Chem. 1999 Mar 11;42(5):920-34.

Molecular Formula	C₃₆H₄₈N₆O₉
Molecular Weight	708.80100
Exact Mass	708.34800
PSA	237.30000
LogP	5.43370
Storage condition	-20°C

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