BIX02189 - ≥98% , Inhibitor of mitogen-activated protein kinase 7;Inhibitor of mitogen-activated protein kinase kinase 5;Inhibitor of transforming growth factor beta receptor 1, CAS No.1265916-41-3, Inhibitor of mitogen-activated protein kinase 7;Inhibitor of mitogen-activated protein kinase kinase 5;Inhibitor of transforming growth factor beta receptor 1

CAS: 1265916-41-3 Cat. No.: B125257 Molecular Weight: 440.54

GRADE & PURITY ≥98%

Synonyms

BIX-02189 (Random Configuration) | HY-12056A | NCGC00346544-01 | 3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N,N-dimethyl-2-oxo-1H-indole-6-carboxamide | DTXSID201025843 | A11890 | BCP11307 | SCHEMBL16684970 | NCGC00093739-08 | s1531 | HMS365

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

BIX-02189 (Random Configuration) | HY-12056A | NCGC00346544-01 | 3-[[3-[(dimethylamino)methyl]anilino]-phenylmethylidene]-N, N-dimethyl-2-oxo-1H-indole-6-carboxamide | DTXSID201025843 | A11890 | BCP11307 | SCHEMBL16684970 | NCGC00093739-08 | s1531 | HMS365

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Selective MEK5 and ERK5 inhibitor (IC50values are 1.5 and 59 nM respectively). Inhibits sorbitol-induced ERK5 phosphorylation in HeLa cells. Selective for MEK5 and ERK5 over MEK1/2, ERK1/2 and a panel of 87 kinases. Induces apoptosis in acute myeloid leuk

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Inhibitor of mitogen-activated protein kinase 7;Inhibitor of mitogen-activated protein kinase kinase 5;Inhibitor of transforming growth factor beta receptor 1

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O
• IUPAC Name: 3-[N-[3-[(dimethylamino)methyl]phenyl]-C-phenylcarbonimidoyl]-2-hydroxy-N,N-dimethyl-1H-indole-6-carboxamide
• InChIKey: ZGXOBLVQIVXKEB-UHFFFAOYSA-N
• INCHI: 1S/C27H28N4O2/c1-30(2)17-18-9-8-12-21(15-18)28-25(19-10-6-5-7-11-19)24-22-14-13-20(27(33)31(3)4)16-23(22)29-26(24)32/h5-16,29,32H,17H2,1-4H3
• Isomeric SMILES: CN(C)CC1=CC(=CC=C1)N=C(C2=CC=CC=C2)C3=C(NC4=C3C=CC(=C4)C(=O)N(C)C)O
• Molecular Weight: 440.54
• Reaxy-Rn: 60405313
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=60405313&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Indolecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolecarboxamides and derivatives
• Alternative Parents: Hydroxyindoles Indoles Phenylmethylamines Benzylamines Aralkylamines Substituted pyrroles Tertiary carboxylic acid amides Secondary ketimines Heteroaromatic compounds Azomethines Trialkylamines Amino acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolecarboxamide derivative - Hydroxyindole - Indole - Phenylmethylamine - Benzylamine - Aralkylamine - Benzenoid - Substituted pyrrole - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Secondary ketimine - Pyrrole - Azomethine - Tertiary aliphatic amine - Tertiary amine - Ketimine - Carboxamide group - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolecarboxamides and derivatives. These are compounds containing a carboxamide group attached to an indole.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

TGFBR1 Tchem TGF-beta receptor type-1 (0 Activities)

Discover Target: TGFBR1

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

MAPK7 Tchem Mitogen-activated protein kinase 7 (0 Activities)

Discover Target: MAPK7

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

MAP2K5 Tchem Dual specificity mitogen-activated protein kinase kinase 5 (0 Activities)

Discover Target: MAP2K5

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

U2OS (164939 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 44.05, Max Conc. mM: 100; Solvent:1eq. HCl, Max Conc. mg/mL: 44.05, Max Conc. mM: 100
• Molecular Weight: 440.500 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 440.221 Da
• Monoisotopic Mass: 440.221 Da
• Topological Polar Surface Area: 71.900 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 688.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1