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MT-802

CAT: 0804-HY-122562-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-122562-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MT-802 is a BTK PROTAC degrader. MT-802 degrades wild-type BTK (DC50 = 14.6 nM) and BTK mutants including E41K, C481S (DC50 = 14.9 nM), C481R, C481Y, C481T, C481F, L528W, and inhibits their Y223 phosphorylation. BI-4732 can be used for the study of Ibrutinib -resistant chronic lymphocytic leukemia (CLL). (Pink: BTK ligand (HY-150885), Blue: CRBN Ligand (HY-14658), Black: Linker (HY-141371), E3 ligase ligand-linker conjugate (HY-176340) )[2].
CAS Number
2231744-29-7
UNSPSC
12352005
Hazard Statement
H301, H311, H331
Target
Btk; PROTACs
Type
Reference compound
Related Pathways
PROTAC; Protein Tyrosine Kinase/RTK
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mt-802.html
Purity
98.35
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC2=C(C(N(C(CC3)C(NC3=O)=O)C2=O)=O)C=C1)COCCOCCN4CCC(N5N=C(C6=CC=C(OC7=CC=CC=C7)C=C6)C8=C(N)N=CN=C85)CC4
Molecular Formula
C41H41N9O8
Molecular Weight
787.82
Precautions
H301, H311, H331
References & Citations
[1]Lim YS, et al. Orally bioavailable BTK PROTAC active against wild-type and C481 mutant BTKs in human lymphoma CDX mouse models. Blood Adv. 2023 Jan 10;7 (1) :92-105.|[2]Buhimschi AD, et al. Targeting the C481S Ibrutinib-Resistance Mutation in Bruton's Tyrosine Kinase Using PROTAC-Mediated Degradation. Biochemistry. 2018 Jul 3;57 (26) :3564-3575.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
Cereblon

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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CatalogName
565117MT-802
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A18589-1MT-802 1mg
A18589-10MT-802 10mg
A18589-200MT-802 200mg
A18589-50MT-802 50mg
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