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valategrast , CAS No.220847-86-9, Inhibitor of integrin α4β1;Inhibitor of integrin α4β7;Inhibitor of integrin; alpha 4 subunit (antigen CD49D; alpha 4 subunit of VLA-4 receptor)

Moligand™

CAS#: 220847-86-9
PubChem CID: 11563636

Item Number

V614701

Grouped product items
SKU	Size	Availability	Price	Qty
V614701-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
V614701-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

View related series

integrin α4β1 Inhibitor integrin α4β7 Inhibitor integrin，alpha 4 subunit (antigen CD49D，alpha 4 subunit of VLA-4 receptor) Inhibitor

Basic Description

Synonyms	Valategrast\|220847-86-9\|Valategrast (R411)\|Valategrast [INN]\|R411 FREE BASE\|06DM4KX7JG\|R-411 FREE BASE\|RO-0272441\|RO0272441\|2-(diethylamino)ethyl (2S)-2-[(2-chloro-6-methylbenzoyl)amino]-3-[4-[(2,6-dichlorobenzoyl)amino]phenyl]propanoate\|R-411 (free base)
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of integrin α4β1;Inhibitor of integrin α4β7;Inhibitor of integrin; alpha 4 subunit (antigen CD49D; alpha 4 subunit of VLA-4 receptor)

Associated Targets

ITGA4 Tclin Integrin alpha-4 0 Activities

Discover Target: ITGA4

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ITGB7 Tclin Integrin beta-7 0 Activities

Discover Target: ITGB7

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ITGB1 Tclin Integrin beta-1 0 Activities

Discover Target: ITGB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Names and Identifiers

INCHI	InChI=1S/C30H32Cl3N3O4/c1-4-36(5-2)16-17-40-30(39)25(35-28(37)26-19(3)8-6-9-22(26)31)18-20-12-14-21(15-13-20)34-29(38)27-23(32)10-7-11-24(27)33/h6-15,25H,4-5,16-18H2,1-3H3,(H,34,38)(H,35,37)/t25-/m0/s1
InChi Key	VZVNFRFMDNFPOM-VWLOTQADSA-N
Canonical SMILES	CCN(CCOC(=O)[C@@H](NC(=O)c1c(C)cccc1Cl)Cc1ccc(cc1)NC(=O)c1c(Cl)cccc1Cl)CC
Isomeric SMILES	CCN(CC)CCOC(=O)[C@H](CC1=CC=C(C=C1)NC(=O)C2=C(C=CC=C2Cl)Cl)NC(=O)C3=C(C=CC=C3Cl)C
PubChem CID	11563636

PubChem CID

11563636

CAS Registry No.

220847-86-9

ChEMBL Ligand

CHEMBL2107792

References

1. Woodside DG, Vanderslice P. (2008) Cell adhesion antagonists: therapeutic potential in asthma and chronic obstructive pulmonary disease.. BioDrugs, 22 (2): (85-100). [PMID:18345706]
2. Hijazi Y, Welker H, Dorr AE, Tang JP, Blain R, Renzetti LM, Abbas R. (2004) Pharmacokinetics, safety, and tolerability of R411, a dual alpha4beta1-alpha4beta7 integrin antagonist after oral administration at single and multiple once-daily ascending doses in healthy volunteers.. J Clin Pharmacol, 44 (12): (1368-78). [PMID:15545307]

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valategrast , CAS No.220847-86-9, Inhibitor of integrin α4β1;Inhibitor of integrin α4β7;Inhibitor of integrin; alpha 4 subunit (antigen CD49D; alpha 4 subunit of VLA-4 receptor)

Basic Description

Associated Targets

ITGA4 Tclin Integrin alpha-4 0 Activities

ITGB7 Tclin Integrin beta-7 0 Activities

ITGB1 Tclin Integrin beta-1 0 Activities

Names and Identifiers

Database links

Certificates

Certificate of Analysis(COA)

Related Documents

References

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