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C-82

CAT: 1410-M26079-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M26079-01Size:5 mg
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Description
C-82 is a specific CBP/β-catenin antagonist. It inhibits the binding between β-catenin and CBP and increases the binding between β-catenin and p300.
CAS Number
1422253-37-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
578.673
Molecular Formula
C33H34N6O4
Notes
Research use only, not for human use.
Receptor
——

Chemical Information

(6S,9S,9AS)-N-benzyl-6-(4-hydroxybenzyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide
CAS Number1422253-37-9
PubChem CID73602848
IUPAC Name(6S,9S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
Molecular FormulaC33H34N6O4
Molecular Weight578.7
XLogP3.9
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count43
Formal Charge0
Complexity998
SMILES
C[C@H]1[C@H]2N([C@H](C(=O)N1CC3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)O)C(=O)CN(N2C(=O)NCC6=CC=CC=C6)C
InChI
InChI=1S/C33H34N6O4/c1-22-31-38(29(41)21-36(2)39(31)33(43)35-19-24-8-4-3-5-9-24)28(18-23-13-15-27(40)16-14-23)32(42)37(22)20-26-11-6-10-25-12-7-17-34-30(25)26/h3-17,22,28,31,40H,18-21H2,1-2H3,(H,35,43)/t22-,28-,31-/m0/s1
InChIKey
KLGHKOORFHZFGO-AZXNYEMZSA-N
Chemical Structure
2D Structure
2D structure of (6S,9S,9AS)-N-benzyl-6-(4-hydroxybenzyl)-2,9-dimethyl-4,7-dioxo-8-(quinolin-8-ylmethyl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide
CAS: 1422253-37-9
CID: 73602848
Formula: C33H34N6O4
MW: 578.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight578.7
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass578.26415359
Monoisotopic Mass578.26415359
Topological Polar Surface Area109 Ų
Heavy Atom Count43
Formal Charge0
Complexity998
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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