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Balamapimod

CAT: 0804-HY-14947-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-14947-02Size:10 mg
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Description
Balamapimod (MKI 833) is a reversible Ras/Raf/MEK inhibitor with potential anti-tumor activity.
CAS Number
863029-99-6
Product Name Alternative
MKI 833
UNSPSC
12352005
Target
MEK
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/MKI_833.html
Purity
99.47
Solubility
DMSO : 12.5 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
N#CC1=C(NC2=CC=C(SC3=NC=CN3C)C(Cl)=C2)C4=CC(OC)=C(N5CCC(N6CCCC6)CC5)C=C4N=C1
Molecular Formula
C30H32ClN7OS
Molecular Weight
574.14
References & Citations
[1]Jose R. Conejo-Garcia, et al. Methods and compositions for treatment of metastatic and refractory cancers and tumors. US20170020964A1.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MEK

Chemical Information

Balamapimod

Balamapimod is a small molecule drug. The usage of the INN stem '-mapimod' in the name indicates that Balamapimod is a mitogen-activated protein (MAP) kinase inhibitor. Balamapimod has a monoisotopic molecular weight of 573.21 Da.

CAS Number863029-99-6
PubChem CID11478684
IUPAC Name4-[3-chloro-4-(1-methylimidazol-2-yl)sulfanylanilino]-6-methoxy-7-(4-pyrrolidin-1-ylpiperidin-1-yl)quinoline-3-carbonitrile
Molecular FormulaC30H32ClN7OS
Molecular Weight574.1
XLogP6.3
Topological Polar Surface Area108
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity877
SMILES
CN1C=CN=C1SC2=C(C=C(C=C2)NC3=C(C=NC4=CC(=C(C=C43)OC)N5CCC(CC5)N6CCCC6)C#N)Cl
InChI
InChI=1S/C30H32ClN7OS/c1-36-14-9-33-30(36)40-28-6-5-21(15-24(28)31)35-29-20(18-32)19-34-25-17-26(27(39-2)16-23(25)29)38-12-7-22(8-13-38)37-10-3-4-11-37/h5-6,9,14-17,19,22H,3-4,7-8,10-13H2,1-2H3,(H,34,35)
InChIKey
CVAKNHIXTWLGJO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Balamapimod
CAS: 863029-99-6
CID: 11478684
Formula: C30H32ClN7OS
MW: 574.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight574.1
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass573.2077575
Monoisotopic Mass573.2077575
Topological Polar Surface Area108 Ų
Heavy Atom Count40
Formal Charge0
Complexity877
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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