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ER-851

CAT: 0013-GTR19237736-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19237736-02Size:10 mg
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Description
ER-851 is a potent and orally bioavailable small molecule inhibitor of AXL, demonstrating an IC50 of 100 nM. It has shown antitumor efficacy in research models, supporting its investigation in oncology for both in vitro cellular studies and in vivo preclinical experiments.
CAS Number
2685738-33-2
Smiles
O=C (NC1=CC=C (OC2=NC=NC3=C2CCN (C3) CC4CCN (C) CC4) C (F) =C1) C5=CN (C (=O) N (C5=O) C6=NC=C (C=C6) C) C7CCCC7
Molecular Formula
C36H41FN8O4
Molecular Weight
668.76
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-cyclopentyl-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide
CAS Number2685738-33-2
PubChem CID164616023
IUPAC Name1-cyclopentyl-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide
Molecular FormulaC36H41FN8O4
Molecular Weight668.8
XLogP3.8
Topological Polar Surface Area124
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Heavy Atom Count49
Formal Charge0
Complexity1230
SMILES
CC1=CN=C(C=C1)N2C(=O)C(=CN(C2=O)C3CCCC3)C(=O)NC4=CC(=C(C=C4)OC5=NC=NC6=C5CCN(C6)CC7CCN(CC7)C)F
InChI
InChI=1S/C36H41FN8O4/c1-23-7-10-32(38-18-23)45-35(47)28(20-44(36(45)48)26-5-3-4-6-26)33(46)41-25-8-9-31(29(37)17-25)49-34-27-13-16-43(21-30(27)39-22-40-34)19-24-11-14-42(2)15-12-24/h7-10,17-18,20,22,24,26H,3-6,11-16,19,21H2,1-2H3,(H,41,46)
InChIKey
SAIJSXPUPZBTMI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-cyclopentyl-N-[3-fluoro-4-[[7-[(1-methylpiperidin-4-yl)methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(5-methyl-2-pyridinyl)-2,4-dioxopyrimidine-5-carboxamide
CAS: 2685738-33-2
CID: 164616023
Formula: C36H41FN8O4
MW: 668.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight668.8
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count8
Exact Mass668.32347998
Monoisotopic Mass668.32347998
Topological Polar Surface Area124 Ų
Heavy Atom Count49
Formal Charge0
Complexity1230
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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Alternative Products

CatalogName
HY-164382ER-851
TRC-N381200-25MGNB-851
HY-16979TRK-851
HY-101747AADR 851
HY-19281DMP-851
T23642L-01ADR-851 HCl
HY-W999729CRBN ligand-851
1215826Compressor 851, without water
T23642-01ADR-851 free base
HY-101747-01ADR 851 (free base)

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