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Kinases
TKL:Tyrosine kinase-like
(E,2S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboximidamide , CAS No.1116571-01-7, Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2

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(E,2S)-N-(3-bromophenyl)-N'-cyano-2-methyl-4-{5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl}piperazine-1-carboximidamide , CAS No.1116571-01-7, Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2

Moligand™

CAS#: 1116571-01-7
Formula: C₂₀H₂₁BrN₈
Molecular Weight: 453.3
PubChem CID: 44477445

Item Number

E608725

Grouped product items
SKU	Size	Availability	Price	Qty
E608725-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,334.90
E608725-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,001.90

View related series

LIM domain kinase 1 Inhibitor LIM domain kinase 2 Inhibitor

Basic Description

Synonyms	compound 14
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of LIM domain kinase 1;Inhibitor of LIM domain kinase 2

Associated Targets

ROCK2 Tclin Rho-associated protein kinase 2 0 Activities

Discover Target: ROCK2

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

ROCK1 Tclin Rho-associated protein kinase 1 0 Activities

Discover Target: ROCK1

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

LIMK1 Tchem LIM domain kinase 1 2 Activities

Discover Target: LIMK1

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

LIMK2 Tchem LIM domain kinase 2 2 Activities

Discover Target: LIMK2

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

Names and Identifiers

IUPAC Name	(2S)-N'-(3-bromophenyl)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide
INCHI	InChI=1S/C20H21BrN8/c1-13-9-23-18-17(13)19(26-12-25-18)28-6-7-29(14(2)10-28)20(24-11-22)27-16-5-3-4-15(21)8-16/h3-5,8-9,12,14H,6-7,10H2,1-2H3,(H,24,27)(H,23,25,26)/t14-/m0/s1
InChi Key	KSECQYDNQYAZMQ-AWEZNQCLSA-N
Canonical SMILES	CC1CN(CCN1C(=NC2=CC(=CC=C2)Br)NC#N)C3=NC=NC4=C3C(=CN4)C
Isomeric SMILES	C[C@H]1CN(CCN1C(=NC2=CC(=CC=C2)Br)NC#N)C3=NC=NC4=C3C(=CN4)C
PubChem CID	44477445
Molecular Weight	453.3

Database links

ChEMBL Ligand	CHEMBL570126
PubChem CID	44477445
CAS Registry No.	1116571-01-7

Certificates

Certificate of Analysis(COA)

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References

1. Harrison BA, Whitlock NA, Voronkov MV, Almstead ZY, Gu KJ, Mabon R, Gardyan M, Hamman BD, Allen J, Gopinathan S et al.. (2009) Novel class of LIM-kinase 2 inhibitors for the treatment of ocular hypertension and associated glaucoma.. J Med Chem, 52 (21): (6515-8). [PMID:19831390]

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