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MT-802

CAT: 0931-T16157-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T16157-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2231744-29-7
Target
PROTACs, BTK
Related Pathways
PROTAC, Angiogenesis, Tyrosine Kinase/Adaptors
Purity
0.97
Bioactivity
MT-802 is an effective BTK degrader based on PROTAC technology (DC50: 1 nM) . MT-802 has the potential to treat C481S mutant chronic lymphocytic leukemia (CLL) .
Smiles
NC1=C2C(=NN(C2=NC=N1)C3CCN(CCOCCOCC(NC=4C=C5C(=CC4)C(=O)N(C5=O)C6C(=O)NC(=O)CC6)=O)CC3)C7=CC=C(OC8=CC=CC=C8)C=C7
Molecular Formula
C41H41N9O8
Molecular Weight
787.82
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-(2-(2-(4-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethoxy)ethoxy)-N-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)acetamide
CAS Number2231744-29-7
PubChem CID138108326
IUPAC Name2-[2-[2-[4-[4-amino-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]ethoxy]ethoxy]-N-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]acetamide
Molecular FormulaC41H41N9O8
Molecular Weight787.8
XLogP2.3
Topological Polar Surface Area213
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Heavy Atom Count58
Formal Charge0
Complexity1470
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C=C(C=C3)NC(=O)COCCOCCN4CCC(CC4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)OC8=CC=CC=C8)N
InChI
InChI=1S/C41H41N9O8/c42-37-35-36(25-6-9-29(10-7-25)58-28-4-2-1-3-5-28)47-50(38(35)44-24-43-37)27-14-16-48(17-15-27)18-19-56-20-21-57-23-34(52)45-26-8-11-30-31(22-26)41(55)49(40(30)54)32-12-13-33(51)46-39(32)53/h1-11,22,24,27,32H,12-21,23H2,(H,45,52)(H2,42,43,44)(H,46,51,53)
InChIKey
AJTLGUJXIKEZCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(2-(4-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)ethoxy)ethoxy)-N-(2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)acetamide
CAS: 2231744-29-7
CID: 138108326
Formula: C41H41N9O8
MW: 787.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight787.8
XLogP32.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count13
Rotatable Bond Count14
Exact Mass787.30780930
Monoisotopic Mass787.30780930
Topological Polar Surface Area213 Ų
Heavy Atom Count58
Formal Charge0
Complexity1470
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-122562-01MT-802
A18589-100MT-802 100mg
A18589-5MT-802 5mg
A18589-1MT-802 1mg
A18589-10MT-802 10mg
A18589-200MT-802 200mg
A18589-50MT-802 50mg
A18589-25MT-802 25mg
A18589-10mM-DMT-802 10mM * 1mL in DMSO
HY-19478TAK-802

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