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MerTK/Axl-IN-1

CAT: 0931-T200517-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T200517-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
3036009-40-9
Target
TAM Receptor
Related Pathways
Tyrosine Kinase/Adaptors
Bioactivity
MerTK/Axl-IN-1 (Compound A-910) is a potent and selective dual inhibitor of MerTK/Axl, exhibiting IC50 values of 4.2 nM and 8.8 nM in Ba/F3 cells, and 0.2 nM and 0.9 nM in HTRF cells, respectively. It effectively inhibits pMerTK in vivo and possesses a long half-life and high oral bioavailability.
Smiles
C([C@@H](CO)O)N1CCN([C@@H]2C=3C(=CC(=CC3)C4=CC=C(CO[C@@H]5[C@@H](NC(=O)C=6C=C(C=NC6N)C7=C(F)N=CC=C7)CCC5)C=C4)CCC2)CC1
Molecular Formula
C40H47FN6O4
Molecular Weight
694.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

MerTK/Axl-IN-1
CAS Number3036009-40-9
PubChem CID171524864
IUPAC Name2-amino-N-[(1S,2S)-2-[[4-[(5S)-5-[4-[(2S)-2,3-dihydroxypropyl]piperazin-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl]methoxy]cyclopentyl]-5-(2-fluoro-3-pyridinyl)pyridine-3-carboxamide
Molecular FormulaC40H47FN6O4
Molecular Weight694.8
XLogP4.4
Topological Polar Surface Area137
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count51
Formal Charge0
Complexity1090
SMILES
C1C[C@@H]([C@H](C1)OCC2=CC=C(C=C2)C3=CC4=C(C=C3)[C@H](CCC4)N5CCN(CC5)C[C@@H](CO)O)NC(=O)C6=C(N=CC(=C6)C7=C(N=CC=C7)F)N
InChI
InChI=1S/C40H47FN6O4/c41-38-33(5-3-15-43-38)30-21-34(39(42)44-22-30)40(50)45-35-6-2-8-37(35)51-25-26-9-11-27(12-10-26)28-13-14-32-29(20-28)4-1-7-36(32)47-18-16-46(17-19-47)23-31(49)24-48/h3,5,9-15,20-22,31,35-37,48-49H,1-2,4,6-8,16-19,23-25H2,(H2,42,44)(H,45,50)/t31-,35-,36-,37-/m0/s1
InChIKey
LYOFWWMIRHDSLV-AKQLPAHTSA-N
Chemical Structure
2D Structure
2D structure of MerTK/Axl-IN-1
CAS: 3036009-40-9
CID: 171524864
Formula: C40H47FN6O4
MW: 694.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight694.8
XLogP34.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass694.36428216
Monoisotopic Mass694.36428216
Topological Polar Surface Area137 Ų
Heavy Atom Count51
Formal Charge0
Complexity1090
Isotope Atom Count0
Defined Atom Stereocenter Count4
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-162940-01MerTK/Axl-IN-1
GTR19239834-01MerTK-IN-1
sc-365499MerTK (B-1)
GTR17962828Axl-1 Antibody
HY-170776AXL/Angiokinase-IN-1
BZ0203-2PcDNA3.1-AXL
402091-01MERTK
sc-365499 PEMerTK (B-1) PE
sc-365499 ACMerTK (B-1) AC
sc-365499 HRPMerTK (B-1) HRP

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