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MLK-IN-2

CAT: 0013-GTR19234963-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19234963-02Size:50 mg
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Description
MLK-IN-2 (Compound 9a) is a potent and selective MLK3 inhibitor (IC50 = 6 nM) based on a 3H-imidazole[4,5-b]pyridine scaffold. This small molecule is a valuable research tool for studying MLK3 signaling in cancer and neurodegenerative disease models, applicable in both in vitro and in vivo experimental contexts.
CAS Number
2614255-51-3
Field of Research
Signal Transduction
Smiles
N (C1=C2C (N=C (N2) C3=C (C) N (C (C) =C3) C4=CC (C (=O) N5CCOCC5) =CC=C4) =NC=C1Br) [C@@H]6CN (S (CC) (=O) =O) CC6
Molecular Formula
C29H34BrN7O4S
Molecular Weight
656.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Mlk-IN-2
CAS Number2614255-51-3
PubChem CID156119383
IUPAC Name[3-[3-[6-bromo-7-[[(3S)-1-ethylsulfonylpyrrolidin-3-yl]amino]-1H-imidazo[4,5-b]pyridin-2-yl]-2,5-dimethylpyrrol-1-yl]phenyl]-morpholin-4-ylmethanone
Molecular FormulaC29H34BrN7O4S
Molecular Weight656.6
XLogP3.2
Topological Polar Surface Area134
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count42
Formal Charge0
Complexity1060
SMILES
CCS(=O)(=O)N1CC[C@@H](C1)NC2=C3C(=NC=C2Br)N=C(N3)C4=C(N(C(=C4)C)C5=CC=CC(=C5)C(=O)N6CCOCC6)C
InChI
InChI=1S/C29H34BrN7O4S/c1-4-42(39,40)36-9-8-21(17-36)32-25-24(30)16-31-28-26(25)33-27(34-28)23-14-18(2)37(19(23)3)22-7-5-6-20(15-22)29(38)35-10-12-41-13-11-35/h5-7,14-16,21H,4,8-13,17H2,1-3H3,(H2,31,32,33,34)/t21-/m0/s1
InChIKey
KRRAGOABOIDARO-NRFANRHFSA-N
Chemical Structure
2D Structure
2D structure of Mlk-IN-2
CAS: 2614255-51-3
CID: 156119383
Formula: C29H34BrN7O4S
MW: 656.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight656.6
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass655.15764
Monoisotopic Mass655.15764
Topological Polar Surface Area134 Ų
Heavy Atom Count42
Formal Charge0
Complexity1060
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-161271-01MLK-IN-2
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MBS7144922Rabbit anti-Caenorhabditis elegans mlk-1 Polyclonal Antibody
APR17391GMonoclonal MLK-3 Antibody (C-term), Clone: EP1460Y
323103MAP3K11 (Mitogen-activated protein kinase kinase kinase 11, MLK3, PTK1, SPRK, MLK-3, MEKK11) discontinued
500273MLK3, Recombinant, Human, GST-Tag (Mixed-Lineage Kinase 3, MAP3K11, PTK1, SPRK, MLK3, MGC17114, MLK-3) discontinued
223975-01LZK (Mitogen-Activated Protein Kinase Kinase Kinase 13, Leucine Zipper-bearing Kinase, Mixed lineage Kinase, MLK, MAP3K13, LZK) discontinued
135497-FITCMLTK (Mitogen-activated Protein Kinase Kinase Kinase MLT, Human Cervical Cancer Suppressor Gene 4 Protein, HCCS4, HCCS-4, Leucine Zipper- and Sterile alpha Motif-containing Kinase, MLK-like Mitogen-activated Protein Triple Kinase, Mixed Lineage Kinase-related Kinase, MLK-related Kinase, MRK, Sterile alpha Motif- and Leucine Zipper-containing Kinase AZK, ZAK) (FITC)
135497-APCMLTK (Mitogen-activated Protein Kinase Kinase Kinase MLT, Human Cervical Cancer Suppressor Gene 4 Protein, HCCS4, HCCS-4, Leucine Zipper- and Sterile alpha Motif-containing Kinase, MLK-like Mitogen-activated Protein Triple Kinase, Mixed Lineage Kinase-related Kinase, MLK-related Kinase, MRK, Sterile alpha Motif- and Leucine Zipper-containing Kinase AZK, ZAK) (APC)

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