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Firategrast , Integrin alpha-4/beta-7 antagonist, CAS No.402567-16-2, Integrin alpha-4/beta-7 antagonist

Item Number
F125162
Grouped product items
SKUSizeAvailabilityPrice Qty
F125162-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$147.90
F125162-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$236.90
F125162-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$484.90
F125162-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$771.90
F125162-100mg
100mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,236.90
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Cytoskeleton Integrin integrin α4β1 Inhibitor integrin α4β7 Inhibitor integrin，alpha 4 subunit (antigen CD49D，alpha 4 subunit of VLA-4 receptor) Inhibitor

Basic Description

SynonymsSCHEMBL918399 | HY-14951 | AC-30127 | Firategrast [USAN] | (1,1'-Biphenyl)-4-propanoic acid, alpha-((2,6-difluorobenzoyl)amino)-4'-(ethoxymethyl)- 2',6'-dimethoxy-, (alphaS)- | (1,1'-Biphenyl)-4-propanoic acid, alpha-((2,6-difluorobenzoyl)amino)-4'(ethoxy
Specifications & PurityMoligand™
Biochemical and Physiological Mechanisms

Description:
IC50 Value: N/A
Firategrast is an orally bioavailable alpha4 beta1/alpha4 beta7 integrin antagonist designed to reduce trafficking of lymphocytes into the central nervous system (CNS). 
in vitro: N/A

Storage TempStore at -20°C
Shipped InIce chest + Ice pads
GradeMoligand™
Action TypeANTAGONIST, INHIBITOR
Mechanism of actionIntegrin alpha-4/beta-7 antagonist

Product Properties

ALogP4.6

Associated Targets(Human)

ITGA4 Tclin Integrin alpha-4 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ITGB7 Tclin Integrin beta-7 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ITGB1 Tclin Integrin beta-1 (0 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Names and Identifiers

IUPAC Name (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid
INCHI InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1
InChi Key YLFZHHDVRSYTKT-NRFANRHFSA-N
Canonical SMILES CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC
Isomeric SMILES CCOCC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)C3=C(C=CC=C3F)F)OC
PubChem CID 9935681
Molecular Weight 499.5

Certificates

Certificate of Analysis(COA)

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Chemical and Physical Properties

Solubility25°C: DMSO

Related Documents

 SDS

 Specification Sheet

References

1. Grove RA, Shackelford S, Sopper S, Pirruccello S, Horrigan J, Havrdova E, Gold M, Graff O.  (2013)  Leukocyte counts in cerebrospinal fluid and blood following firategrast treatment in subjects with relapsing forms of multiple sclerosis..  Eur J Neurol,  20  (7): (1032-42).  [PMID:23419064] [10.1021/op500134e]

Solution Calculators

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