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CCT373567

CAT: 0931-T63862-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T63862-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2378853-67-7
Target
Others, Molecular Glues, Bcl-2 Family
Related Pathways
Others, Apoptosis, PROTAC
Bioactivity
CCT373567 is a potent degrader of the transcriptional repressor BCL6 (IC50: 2.9 nM) and exhibits antiproliferative effects.
Smiles
O=C1C2=C(C=3C(N1C)=CC=C(NC4=NC(=NC=C4Cl)N5C[C@H](C)C[C@H](O)C5)C3)N[C@H](C(F)(F)CO2)C6CC6
Molecular Formula
C26H29ClF2N6O3
Molecular Weight
547
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(2S)-10-[[5-chloro-2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
CAS Number2378853-67-7
PubChem CID146189161
IUPAC Name(2S)-10-[[5-chloro-2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
Molecular FormulaC26H29ClF2N6O3
Molecular Weight547.0
XLogP4.2
Topological Polar Surface Area103
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Heavy Atom Count38
Formal Charge0
Complexity954
SMILES
C[C@@H]1C[C@@H](CN(C1)C2=NC=C(C(=N2)NC3=CC4=C(C=C3)N(C(=O)C5=C4N[C@H](C(CO5)(F)F)C6CC6)C)Cl)O
InChI
InChI=1S/C26H29ClF2N6O3/c1-13-7-16(36)11-35(10-13)25-30-9-18(27)23(33-25)31-15-5-6-19-17(8-15)20-21(24(37)34(19)2)38-12-26(28,29)22(32-20)14-3-4-14/h5-6,8-9,13-14,16,22,32,36H,3-4,7,10-12H2,1-2H3,(H,30,31,33)/t13-,16+,22+/m1/s1
InChIKey
GSGDUDAFETZSPM-DHZVRSILSA-N
Chemical Structure
2D Structure
2D structure of (2S)-10-[[5-chloro-2-[(3S,5R)-3-hydroxy-5-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-difluoro-7-methyl-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-6-one
CAS: 2378853-67-7
CID: 146189161
Formula: C26H29ClF2N6O3
MW: 547.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.0
XLogP34.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count10
Rotatable Bond Count4
Exact Mass546.1957728
Monoisotopic Mass546.1957728
Topological Polar Surface Area103 Ų
Heavy Atom Count38
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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