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R428

CAT: 1410-M10189-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M10189-04Size:10 mg
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Description
R428 (BGB324) is an inhibitor of Axl with IC50 of 14 nM.
CAS Number
1037624-75-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
506.64
Molecular Formula
C30H34N8
Notes
Research use only, not for human use.
Receptor
AXL

Chemical Information

Bemcentinib

Bemcentinib has been investigated for the treatment of Non-Small Cell Lung Cancer.

CAS Number1037624-75-1
PubChem CID46215462
IUPAC Name1-(3,4-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-5-yl)-3-N-[(7S)-7-pyrrolidin-1-yl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-1,2,4-triazole-3,5-diamine
Molecular FormulaC30H34N8
Molecular Weight506.6
XLogP5.5
Topological Polar Surface Area97.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity775
SMILES
C1CCN(C1)[C@H]2CCC3=C(CC2)C=C(C=C3)NC4=NN(C(=N4)N)C5=NN=C6C(=C5)CCCC7=CC=CC=C76
InChI
InChI=1S/C30H34N8/c31-29-33-30(32-24-13-10-20-11-14-25(15-12-22(20)18-24)37-16-3-4-17-37)36-38(29)27-19-23-8-5-7-21-6-1-2-9-26(21)28(23)35-34-27/h1-2,6,9-10,13,18-19,25H,3-5,7-8,11-12,14-17H2,(H3,31,32,33,36)/t25-/m0/s1
InChIKey
KXMZDGSRSGHMMK-VWLOTQADSA-N
Chemical Structure
2D Structure
2D structure of Bemcentinib
CAS: 1037624-75-1
CID: 46215462
Formula: C30H34N8
MW: 506.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight506.6
XLogP35.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass506.29064312
Monoisotopic Mass506.29064312
Topological Polar Surface Area97.8 Ų
Heavy Atom Count38
Formal Charge0
Complexity775
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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CatalogName
A8329-5R428
A13741-500R428 500mg
C08899-200mgBemcentinib (R428)
A13741-1R428 1mg
A13741-50R428 50mg
A13741-10R428 10mg
A13741-2R428 2mg

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