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CCT367766

CAT: 0931-T14908-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T14908-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2229856-58-8
Target
PROTACs
Related Pathways
PROTAC
Purity
>99.99%
Bioactivity
CCT367766 is a potent, PROTAC-based, third-generation, iso-functional pirin-targeted protein degradation probe (PDP) that depletes pirin expression at low concentrations.CCT367766 has an IC50 value of 490 nM for the CRBN-DDB1 complex.CCT367766 has a good affinity for recombinant pirin and CRBN. CCT367766 has a good affinity for recombinant pirin and CRBN, with Kd values of 55 nM and 120 nM, respectively. cct367766 is a potent orally active protein that reduces the expression of pirin at low concentrations.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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