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C-82 - 98%, high purity , CAS No.1422253-37-9

COA

Grade & Purity:

≥98%

Cas Number: 1422253-37-9
Molecular Weight: 578.7
PubChem CID: 73602848

In stock

Item Number

C412670

Grouped product items
SKU	Size	Availability	Price
C412670-1mg	1mg	3	$430.90
C412670-5mg	5mg	2	$867.90
C412670-10mg	10mg	1	$1,253.90

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Epigenetic Reader Domain (314)

Basic Description

Synonyms	C-82 \| 1422253-37-9 \| UNII-D33SM48G6V \| D33SM48G6V \| CID 73602848 \| (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]
Specifications & Purity	≥98%
Biochemical and Physiological Mechanisms	C-82 is a second-generation specific antagonist of CBP/β-catenin. C-82 inhibits the binding between β-catenin and CBP and increases the binding between β-catenin and p300.
Storage Temp	Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Information C-82 is a second-generation specific antagonist of CBP/β-catenin. C-82 inhibits the binding between β-catenin and CBP and increases the binding between β-catenin and p300.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Quinolines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Quinolines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Quinolines and derivatives
Alternative Parents	Alpha amino acids and derivatives N-alkylpiperazines 1-hydroxy-2-unsubstituted benzenoids Pyridines and derivatives Benzene and substituted derivatives 1,2,4-triazines 1,2,4-triazinanes Tertiary carboxylic acid amides Semicarbazides Heteroaromatic compounds Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-amino acid or derivatives - Quinoline - 1-hydroxy-2-unsubstituted benzenoid - Phenol - N-alkylpiperazine - 1,2,4-triazinane - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyridine - Triazinane - Triazine - Benzenoid - 1,2,4-triazine - Semicarbazide - Tertiary carboxylic acid amide - Heteroaromatic compound - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

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
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
Smiles	CC1C2N(C(C(=O)N1CC3=CC=CC4=C3N=CC=C4)CC5=CC=C(C=C5)O)C(=O)CN(N2C(=O)NCC6=CC=CC=C6)C
Isomeric 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
Molecular Weight	578.7
Reaxy-Rn	27083254
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=27083254&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
B2402175	Certificate of Analysis	Dec 28, 2023	C412670
B2402176	Certificate of Analysis	Dec 28, 2023	C412670
B2402177	Certificate of Analysis	Dec 28, 2023	C412670
B2402178	Certificate of Analysis	Dec 28, 2023	C412670
B2402179	Certificate of Analysis	Dec 28, 2023	C412670
B2402303	Certificate of Analysis	Dec 28, 2023	C412670

Chemical and Physical Properties

Molecular Weight	578.700 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	6
Exact Mass	578.264 Da
Monoisotopic Mass	578.264 Da
Topological Polar Surface Area	109.000 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	998.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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