(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

Product Name: (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 No.: 1422253-37-9
Chemical Name: (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
Synonyms: C-82, 10 mM in DMSO;(6S,9S,9AS)-N-BENZYL-6-(4-HYDROXYBENZYL)-2,9-DIMETHYL- 4,7-DIOXO-8-(QUINOLIN-8-YLMETHYL)HEXAHYDRO-2H;(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;(6S,9S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-2,9-dimethyl-4,7-dioxo-8-[(quinolin-8-yl)methyl]-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide;2H-Pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide, hexahydro-6-[(4-hydroxyphenyl)methyl]-2,9-dimethyl-4,7-dioxo-N-(phenylmethyl)-8-(8-quinolinylmethyl)-, (6S,9S,9aS)-
CBNumber: CB14188738
Molecular Formula: C33H34N6O4
Formula Weight: 578.66
MOL File: 1422253-37-9.mol

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(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 Property

Density: 1.39±0.1 g/cm3(Predicted)
solubility: Acetonitrile: Slightly soluble: 0.1-1 mg/ml
Methanol: Sparingly soluble: 1-10 mg/ml
pka: 9.88±0.15(Predicted)
InChIKey: KLGHKOORFHZFGO-AZXNYEMZSA-N
SMILES: N1(C)CC(=O)N2[C@@H](CC3=CC=C(O)C=C3)C(=O)N(CC3=C4C(=CC=C3)C=CC=N4)[C@@H](C)[C@]2([H])N1C(NCC1=CC=CC=C1)=O

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

Precautionary statements

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

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N-Bromosuccinimide Price

ChemScene

Product number: CS-0045287
Product name: C-82
Packaging: 5mg
Price: $360
Updated: 2021/12/16

ChemScene

Product number: CS-0045287
Product name: C-82
Packaging: 10mg
Price: $600
Updated: 2021/12/16

CSNpharm

Product number: CSN22363
Product name: C-82
Packaging: 1mg
Price: $150
Updated: 2021/12/16

CSNpharm

Product number: CSN22363
Product name: C-82
Packaging: 5mg
Price: $250
Updated: 2021/12/16

CSNpharm

Product number: CSN22363
Product name: C-82
Packaging: 10mg
Price: $420
Updated: 2021/12/16

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(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 Chemical Properties,Usage,Production

Uses

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].

in vivo

PRI-724 is phosphorylated-C-82 and is rapidly hydrolyzed to its active form C-82 in vivo, and pre-clinical studies have shown a very acceptable toxicity profile^[1].

References

[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. DOI:10.1016/j.ebiom.2015.10.010
[2] H ZHOU. Combined inhibition of β-catenin and Bcr–Abl synergistically targets tyrosine kinase inhibitor-resistant blast crisis chronic myeloid leukemia blasts and progenitors in vitro and in vivo[J]. Leukemia, 2017, 31 10: 2065-2074. DOI: 10.1038/leu.2017.87

(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 Preparation Products And Raw materials

Raw materials

Preparation Products

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(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 Suppliers

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1422253-37-9, (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)-carboxamideRelated Search:

(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

(6S,9S,9AS)-N-BENZYL-6-(4-HYDROXYBENZYL)-2,9-DIMETHYL- 4,7-DIOXO-8-(QUINOLIN-8-YLMETHYL)HEXAHYDRO-2H

2H-Pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide, hexahydro-6-[(4-hydroxyphenyl)methyl]-2,9-dimethyl-4,7-dioxo-N-(phenylmethyl)-8-(8-quinolinylmethyl)-, (6S,9S,9aS)-

(6S,9S,9aS)-N-benzyl-6-[(4-hydroxyphenyl)methyl]-2,9-dimethyl-4,7-dioxo-8-[(quinolin-8-yl)methyl]-octahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide

C-82, 10 mM in DMSO

1422253-37-9