Apoptosis Activator 2

Base Information

• Chemical Name: Apoptosis Activator 2
• CAS No.: 79183-19-0
• Molecular Formula: C₁₅H₉Cl₂NO₂
• Molecular Weight: 306.148
• Hs Code.: 29145090
• UNII: RSY8DE8DGH
• DSSTox Substance ID: DTXSID30365533
• Wikidata: Q27164035
• Pharos Ligand ID: B4T3FTU12QQ9
• ChEMBL ID: CHEMBL375126
• Mol file: 79183-19-0.mol

Synonyms:Apoptosis Activator 2;79183-19-0;1-(3,4-dichlorobenzyl)indoline-2,3-dione;1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione;MDK83190;1-[(3,4-dichlorophenyl)methyl]indole-2,3-dione;RSY8DE8DGH;1-[(3,4-Dichlorophenyl)methyl]-1H-indole-2,3-dione;Apoptosis Activator II;1-((3,4-Dichlorophenyl)methyl)-1H-indole-2,3-dione;1-((3,4-Dichlorophenyl)methyl)indole-2,3-dione;1H-Indole-2,3-dione, 1-((3,4-dichlorophenyl)methyl)-;ApoptosisActivator2;SR-01000411093;apoptosis-activator-II;Tocris-2098;UNII-RSY8DE8DGH;CBMicro_042945;D07EDG;Isatin-based compound, 16;CHEMBL375126;SCHEMBL5426477;BDBM22796;CHEBI:92273;cid_1901244;DTXSID30365533;EX-A147;HMS3268L07;HMS3413G05;HMS3651L12;HMS3677G05;BCP06746;HB1293;HSCI1_000276;MFCD00141556;STK215768;AKOS000448309;CCG-267529;CS-3545;NCGC00025353-01;11E-386S;AC-32079;BP-25394;HY-18633;BIM-0043056.P001;FT-0732905;S2927;SW219926-1;EC-000.2382;MLS-0469602.0001;N-(3,4-dichlorobenzyl)-1h-indole-2,3-dione;AB00102233-01;J-503075;SR-01000411093-1;SR-01000411093-2;BRD-K15164005-001-01-5;BRD-K15164005-001-02-3;Q27164035;1-[(3,4-dichlorophenyl)methyl]-2,3-dihydro-1H-indole-2,3-dione

Chemical Property of Apoptosis Activator 2

Chemical Property:

• Appearance/Colour: Orange solid
• Vapor Pressure: 5E-09mmHg at 25°C
• Boiling Point: 470.6 °C at 760 mmHg
• PKA: -2.69±0.20(Predicted)
• Flash Point: 238.4 °C
• PSA: 37.38000
• Density: 1.494 g/cm³
• LogP: 3.78790
• Storage Temp.: Store at RT
• Sensitive.: Light Sensitive
• Solubility.: Soluble in DMSO
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 305.0010339
• Heavy Atom Count: 20
• Complexity: 415

Purity/Quality:

98%,99%, ^*data from raw suppliers

Apoptosis Activator 2 ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2CC3=CC(=C(C=C3)Cl)Cl
• Uses: Apoptosis Activator 2 activates caspases in a cytochrome c-dependent manner and induces apoptosis in tumor cells. Activates apoptosis in cells; shows selectivity for cancer cells against normal cell lines

Technology Process of Apoptosis Activator 2

There total 2 articles about Apoptosis Activator 2 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

indole-2,3-dione (91-56-5,1186480-61-4,84788-92-1) + 3,4-Dichlorophenylmethyl chloride (102-47-6) → 1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione (79183-19-0)

Guidance literature:

With caesium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 24h;

DOI:10.2174/1570178612666150924000909

Reference yield:

→ 1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione (79183-19-0)

Guidance literature:

Reference yield:

1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione (79183-19-0) + aminomalonic acid diethyl ester (6829-40-9) + 3-hydroxy-3-(1H-indol-3-yl)-1-methylindolin-2-one (58956-40-4) → C39H32Cl2N4O6

Guidance literature:

1-(3,4-Dichlorobenzyl)-1H-indole-2,3-dione; aminomalonic acid diethyl ester; With 9-phenanthrenyl; In 1,1,2,2-tetrachloroethane; at 25 ℃; for 0.5h; Molecular sieve;

3-hydroxy-3-(1H-indol-3-yl)-1-methylindolin-2-one; In 1,1,2,2-tetrachloroethane; at 25 ℃; for 24h;

DOI:10.1002/chem.201402485

upstream raw materials:

indole-2,3-dione

3,4-Dichlorophenylmethyl chloride

Refernces

• 1、 -. "Small molecule modulators of apoptosis". Page 15. . Retrieved 2008/06/13.
• 2、 -. "Spiro [imidazolidine 4,3'-indoline]2,2',5-triones, compositions and use". . . Retrieved 2008/06/13.