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DCBP-1

CAT: 1568-C14528-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C14528-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2484739-25-3
SKU
C14528-5mg
Target
E3 Ligase
Applications
Ubiquitin
Smiles
CNC (=O) N1CCC2=C (C1) C (=N[N]2C3CCN (CC3) C (=O) CCOCCOCCOCCOCCNC4=CC=C5C (=O) N (C6CCC (=O) NC6=O) C (=O) C5=C4) N7CCCC8=CC (=C (C=C78) C (F) F) C9=C[N] (C) N=C9
Molecular Formula
C51H63F2N11O10
Additionnal Information
DCBP-1 is a potent and selective heterobifunctional degrader of p300/CBP by hijacking the E3 ubiquitin ligase CRBN, also is exceptionally potent at killing multiple myeloma cells and can abolish the enhancer that drives MYC oncogene expression.
Storage Conditions
3 years -20°C powder

Chemical Information

3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinolin-1-yl]-1-[1-(1-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]amino}-3,6,9,12-tetraoxapentadecanoyl)piperidin-4-yl]-N-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide
CAS Number2484739-25-3
PubChem CID154690309
IUPAC Name3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-[1-[3-[2-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]piperidin-4-yl]-N-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
Molecular FormulaC51H63F2N11O10
Molecular Weight1028.1
XLogP1.6
Topological Polar Surface Area224
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count21
Heavy Atom Count74
Formal Charge0
Complexity1960
SMILES
CNC(=O)N1CCC2=C(C1)C(=NN2C3CCN(CC3)C(=O)CCOCCOCCOCCOCCNC4=CC5=C(C=C4)C(=O)N(C5=O)C6CCC(=O)NC6=O)N7CCCC8=CC(=C(C=C87)C(F)F)C9=CN(N=C9)C
InChI
InChI=1S/C51H63F2N11O10/c1-54-51(70)61-17-11-41-40(31-61)47(62-14-3-4-32-26-37(33-29-56-59(2)30-33)38(46(52)53)28-43(32)62)58-64(41)35-9-15-60(16-10-35)45(66)12-18-71-20-22-73-24-25-74-23-21-72-19-13-55-34-5-6-36-39(27-34)50(69)63(49(36)68)42-7-8-44(65)57-48(42)67/h5-6,26-30,35,42,46,55H,3-4,7-25,31H2,1-2H3,(H,54,70)(H,57,65,67)
InChIKey
ILVRLRGBSSFKIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-1,2,3,4-tetrahydroquinolin-1-yl]-1-[1-(1-{[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl]amino}-3,6,9,12-tetraoxapentadecanoyl)piperidin-4-yl]-N-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-5-carboxamide
CAS: 2484739-25-3
CID: 154690309
Formula: C51H63F2N11O10
MW: 1028.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1028.1
XLogP31.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count16
Rotatable Bond Count21
Exact Mass1027.47274357
Monoisotopic Mass1027.47274357
Topological Polar Surface Area224 Ų
Heavy Atom Count74
Formal Charge0
Complexity1960
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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