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Bemcentinib

CAT: 0931-T6269-08Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T6269-08Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1037624-75-1
Target
TAM Receptor
Related Pathways
Tyrosine Kinase/Adaptors
Purity
0.998
Bioactivity
Bemcentinib (R428) is a selective inhibitor of Axl (IC50: 14 nM) and has been investigated for the treatment of NSCLC.
Smiles
Nc1nc(Nc2ccc3CC[C@@H](CCc3c2)N2CCCC2)nn1-c1cc2CCCc3ccccc3-c2nn1
Molecular Formula
C30H34N8
Molecular Weight
506.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Alternative Products

CatalogName
401810Bemcentinib
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HY-15150SBemcentinib-d8
HY-15150GBemcentinib (GMP)
HY-15150R-01Bemcentinib (Standard)
HY-15150C(R) -Bemcentinib

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