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CCT367766

CAT: 0013-GTR19203851-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19203851-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CCT367766 is a potent, orally active PROTAC that induces targeted degradation of pirin protein. It exhibits high affinity for both pirin (Kd=55 nM) and CRBN (Kd=120 nM), depleting pirin expression at low nanomolar concentrations in vitro. This probe is useful for studying pirin's role in cancer and inflammation through cellular and in vivo experimental models.
CAS Number
2229856-58-8
Product Name Alternative
PROTAC, CCT-367766, CCT367766, CCT 367766, CRBN-DDB1
Field of Research
Pharmacology & Drug Discovery
Purity
98.10% (May vary between batches)
Smiles
O=C (NC1=CC=C (Cl) C (=C1) NC (=O) C=2C=CC=3N=C (C=CC3C2) CN4CCN (CCOCCOCCOC5=CC=CC=6C (=O) N (C (=O) C56) C7C (=O) NC (=O) CC7) CC4) C8=CC=C9OCCOC9=C8
Molecular Formula
C49H48ClN7O11
Molecular Weight
946.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-Chloro-5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)phenyl)-2-((4-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)ethoxy)ethoxy)ethyl)piperazin-1-yl)methyl)quinoline-6-carboxamide
CAS Number2229856-58-8
PubChem CID135397706
IUPAC NameN-[2-chloro-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)phenyl]-2-[[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]methyl]quinoline-6-carboxamide
Molecular FormulaC49H48ClN7O11
Molecular Weight946.4
XLogP3.5
Topological Polar Surface Area207
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Heavy Atom Count68
Formal Charge0
Complexity1790
SMILES
C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)OCCOCCOCCN4CCN(CC4)CC5=NC6=C(C=C5)C=C(C=C6)C(=O)NC7=C(C=CC(=C7)NC(=O)C8=CC9=C(C=C8)OCCO9)Cl
InChI
InChI=1S/C49H48ClN7O11/c50-36-9-8-33(52-45(59)32-6-12-40-42(27-32)68-25-24-66-40)28-38(36)53-46(60)31-5-10-37-30(26-31)4-7-34(51-37)29-56-16-14-55(15-17-56)18-19-64-20-21-65-22-23-67-41-3-1-2-35-44(41)49(63)57(48(35)62)39-11-13-43(58)54-47(39)61/h1-10,12,26-28,39H,11,13-25,29H2,(H,52,59)(H,53,60)(H,54,58,61)
InChIKey
MYFXVOSCUJQYET-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-Chloro-5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)phenyl)-2-((4-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)ethoxy)ethoxy)ethyl)piperazin-1-yl)methyl)quinoline-6-carboxamide
CAS: 2229856-58-8
CID: 135397706
Formula: C49H48ClN7O11
MW: 946.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight946.4
XLogP33.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Exact Mass945.3100331
Monoisotopic Mass945.3100331
Topological Polar Surface Area207 Ų
Heavy Atom Count68
Formal Charge0
Complexity1790
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
BUP14160-01CCT367766
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A23983-50CCT367766 formic 50mg
A23983-5CCT367766 formic 5mg

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