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Chemical structure of LIMK-IN-1

GC70857

LIMK-IN-1

Also known as (2S)-N'-(3-bromophenyl)-N-cyano-2-methyl-4-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazine-1-carboximidamide

LIMK-IN-1 (Compound 14) is an inhibitor of LIM-Kinase (LIMK), with IC50s of 0·5 nM and 0·9 nM for LIMK1 and LIMK2, respectively

ChemicalCAS1116571-01-7MW453.34FormulaC20H21BrN8
CAS number
1116571-01-7
Molecular weight
453.34
Formula
C20H21BrN8
Solubility
DMSO ： 125 mg/mL (275·73 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)
InChIKey
KSECQYDNQYAZMQ-AWEZNQCLSA-N
Catalogue number
GC70857
Brand
GLPBIO
Computed properties PubChem CID 44477445 · XLogP 3.6 · TPSA 96.2 Ų · H-bond donors 2
XLogP
3.6
TPSA
96.2 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
29

SMILES C[C@H]1CN(CCN1C(=NC2=CC(=CC=C2)Br)NC#N)C3=NC=NC4=C3C(=CN4)C

Computed descriptors from PubChem (CID 44477445), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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