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C-82

CAT: 0804-HY-112359-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-112359-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
C-82 is a second-generation specific CBP/β-catenin antagonist, which inhibits the binding between β-catenin and CBP and increases the binding between β-catenin and p300[1].
CAS Number
1422253-37-9
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Wnt; β-catenin
Type
Reference compound
Related Pathways
Stem Cell/Wnt
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/C-82.html
Purity
99.91
Solubility
DMSO : 62.5 mg/mL (ultrasonic)
Smiles
O=C(N1N(C)CC(N([C@H]2CC3=CC=C(O)C=C3)[C@]1([H])[C@H](C)N(CC4=CC=CC5=C4N=CC=C5)C2=O)=O)NCC6=CC=CC=C6
Molecular Formula
C33H34N6O4
Molecular Weight
578.66
Precautions
H302, H315, H319, H335
References & Citations
[1]Osawa Y, et al. Inhibition of Cyclic Adenosine Monophosphate (cAMP) -response Element-binding Protein (CREB) -binding Protein (CBP) /β-Catenin Reduces Liver Fibrosis in Mice. EBioMedicine. 2015 Oct 8;2 (11) :1751-8.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 2

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...
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