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112522-64-2,MFCD00866266
Catalog No.:AA007AP8

112522-64-2 | 4-Acetylamino-n-(2'-aminophenyl)benzamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$8.00   $6.00
- +
10mg
98%
in stock  
$22.00   $16.00
- +
1g
98%
in stock  
$294.00   $206.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007AP8
Chemical Name:
4-Acetylamino-n-(2'-aminophenyl)benzamide
CAS Number:
112522-64-2
Molecular Formula:
C15H15N3O2
Molecular Weight:
269.2985
MDL Number:
MFCD00866266
SMILES:
CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Properties
Computed Properties
 
Complexity:
351  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.3  

Upstream Synthesis Route

[1]Patent:WO2012/3413,2012,A1,.Locationinpatent:Page/Pagecolumn34

[2]Patent:US2013/102677,2013,A1,.Locationinpatent:Paragraph0127;0128;0129

[3]Patent:WO2011/53876,2011,A1,.Locationinpatent:Page/Pagecolumn51;52

[1]BioorganicandMedicinalChemistry,2008,vol.16,#17,p.8109-8116

[2]Patent:US2013/102677,2013,A1,.Locationinpatent:Paragraph0149;0150

[3]JournalofMedicinalChemistry,2007,vol.50,#23,p.5543-5546

[4]Patent:WO2012/3413,2012,A1,.Locationinpatent:Page/Pagecolumn40

[1]Patent:WO2012/3413,2012,A1,.Locationinpatent:Page/Pagecolumn52-53

[1]BioorganicandMedicinalChemistry,2008,vol.16,#6,p.3352-3360

[1]Patent:WO2012/3413,2012,A1,

[2]Patent:WO2012/3413,2012,A1,

[3]Patent:WO2011/53876,2011,A1,

[4]Patent:US2013/102677,2013,A1,

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.8109-8116

[2]Patent:US2013/102677,2013,A1.Locationinpatent:Paragraph0149;0150

[3]JournalofMedicinalChemistry,2007,vol.50,p.5543-5546

[4]Patent:WO2012/3413,2012,A1.Locationinpatent:Page/Pagecolumn40

C13H11N3O4 
  95-54-5    112522-64-2 

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.3352-3360

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.8109-8116

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.8109-8116

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.8109-8116

Literature

Title: Inhibition of histone deacetylase 3 protects beta cells from cytokine-induced apoptosis.

Journal: Chemistry & biology 20120622

Title: Combined inhibition of DNA methyltransferase and histone deacetylase restores caspase-8 expression and sensitizes SCLC cells to TRAIL.

Journal: Carcinogenesis 20111001

Title: Interpreting clinical assays for histone deacetylase inhibitors.

Journal: Cancer management and research 20110101

Title: Inside HDAC with HDAC inhibitors.

Journal: European journal of medicinal chemistry 20100601

Title: Chemical phylogenetics of histone deacetylases.

Journal: Nature chemical biology 20100301

Title: A novel histone deacetylase inhibitor Chidamide induces apoptosis of human colon cancer cells.

Journal: Biochemical and biophysical research communications 20100205

Title: New clinical developments in histone deacetylase inhibitors for epigenetic therapy of cancer.

Journal: Journal of hematology & oncology 20090101

Title: The potential role of histone deacetylase inhibitors in the treatment of non-small-cell lung cancer.

Journal: Critical reviews in oncology/hematology 20081001

Title: Design, synthesis, and evaluation of novel mutual prodrugs (hybrid drugs) of all-trans-retinoic acid and histone deacetylase inhibitors with enhanced anticancer activities in breast and prostate cancer cells in vitro.

Journal: Journal of medicinal chemistry 20080710

Title: CI-994 (N-acetyl-dinaline) in combination with conventional anti-cancer agents is effective against acute myeloid leukemia in vitro and in vivo.

Journal: Oncology reports 20080601

Title: Epigenetic treatment of myelodysplastic syndromes and acute myeloid leukemias.

Journal: Current medicinal chemistry 20080601

Title: Improved synthesis of histone deacetylase inhibitors (HDIs) (MS-275 and CI-994) and inhibitory effects of HDIs alone or in combination with RAMBAs or retinoids on growth of human LNCaP prostate cancer cells and tumor xenografts.

Journal: Bioorganic & medicinal chemistry 20080315

Title: Exploration of the internal cavity of histone deacetylase (HDAC) with selective HDAC1/HDAC2 inhibitors (SHI-1:2).

Journal: Bioorganic & medicinal chemistry letters 20080201

Title: Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity.

Journal: Journal of medicinal chemistry 20071115

Title: Gemcitabine plus CI-994 offers no advantage over gemcitabine alone in the treatment of patients with advanced pancreatic cancer: results of a phase II randomized, double-blind, placebo-controlled, multicenter study.

Journal: Annals of oncology : official journal of the European Society for Medical Oncology 20060701

Title: In vitro study of CI-994, a histone deacetylase inhibitor, in non-small cell lung cancer cell lines.

Journal: Oncology research 20050101

Title: A phase I study of the oral combination of CI-994, a putative histone deacetylase inhibitor, and capecitabine.

Journal: Annals of oncology : official journal of the European Society for Medical Oncology 20041101

Title: Modulation of histone acetylation by [4-(acetylamino)-N-(2-amino-phenyl) benzamide] in HCT-8 colon carcinoma.

Journal: Molecular cancer therapeutics 20030401

Title: Phase I study of oral CI-994 in combination with gemcitabine in treatment of patients with advanced cancer.

Journal: Cancer journal (Sudbury, Mass.) 20030101

Title: Latent hematopoietic stem cell toxicity associated with protracted drug administration.

Journal: Experimental hematology 20010301

Title: Preclinical antitumor activity of CI-994.

Journal: Investigational new drugs 19960101

Title: Moradei OM, et al. Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity. J Med Chem. 2007 Nov 15;50(23):5543-6.

Title: Loprevite M, etal. In vitro study of CI-994, a histone deacetylase inhibitor, in non-small cell lung cancer cell lines. Oncol Res. 2005;15(1):39-48.

Title: LoRusso PM, et al. Preclinical antitumor activity of CI-994. Invest New Drugs. 1996;14(4):349-56.

Title: Graziano MJ, et al. Immunotoxicity of the anticancer drug CI-994 in rats: effects on lymphoid tissue. Arch Toxicol. 1999 Apr-May;73(3):168-74.

Quotation Request
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SDS
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Tags:112522-64-2 Molecular Formula|112522-64-2 MDL|112522-64-2 SMILES|112522-64-2 4-Acetylamino-n-(2'-aminophenyl)benzamide
Catalog No.: AA007AP8
112522-64-2,MFCD00866266
112522-64-2 | 4-Acetylamino-n-(2'-aminophenyl)benzamide
Pack Size： 1mg
Purity： 98%
in stock
$8.00 $6.00
Pack Size： 10mg
Purity： 98%
in stock
$22.00 $16.00
Pack Size： 1g
Purity： 98%
in stock
$294.00 $206.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007AP8
Chemical Name: 4-Acetylamino-n-(2'-aminophenyl)benzamide
CAS Number: 112522-64-2
Molecular Formula: C15H15N3O2
Molecular Weight: 269.2985
MDL Number: MFCD00866266
SMILES: CC(=O)Nc1ccc(cc1)C(=O)Nc1ccccc1N
Properties
Complexity: 351  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.3  
Upstream Synthesis Route
1299346-13-6    112522-64-2 

[1]Patent:WO2012/3413,2012,A1,.Locationinpatent:Page/Pagecolumn34

[2]Patent:US2013/102677,2013,A1,.Locationinpatent:Paragraph0127;0128;0129

[3]Patent:WO2011/53876,2011,A1,.Locationinpatent:Page/Pagecolumn51;52

556-08-1    95-54-5    112522-64-2 

[1]BioorganicandMedicinalChemistry,2008,vol.16,#17,p.8109-8116

[2]Patent:US2013/102677,2013,A1,.Locationinpatent:Paragraph0149;0150

[3]JournalofMedicinalChemistry,2007,vol.50,#23,p.5543-5546

[4]Patent:WO2012/3413,2012,A1,.Locationinpatent:Page/Pagecolumn40

1353653-79-8    112522-64-2 

[1]Patent:WO2012/3413,2012,A1,.Locationinpatent:Page/Pagecolumn52-53

95-54-5    112522-64-2 

[1]BioorganicandMedicinalChemistry,2008,vol.16,#6,p.3352-3360

146651-75-4    112522-64-2 

[1]Patent:WO2012/3413,2012,A1,

[2]Patent:WO2012/3413,2012,A1,

[3]Patent:WO2011/53876,2011,A1,

[4]Patent:US2013/102677,2013,A1,

Downstream Synthesis Route
556-08-1    95-54-5    112522-64-2 

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.8109-8116

[2]Patent:US2013/102677,2013,A1.Locationinpatent:Paragraph0149;0150

[3]JournalofMedicinalChemistry,2007,vol.50,p.5543-5546

[4]Patent:WO2012/3413,2012,A1.Locationinpatent:Page/Pagecolumn40

C13H11N3O4 
  95-54-5    112522-64-2 

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.3352-3360

1075719-58-2    489-91-8    124-38-9    112522-64-2 

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.8109-8116

1075719-57-1    489-91-8    124-38-9    41833-13-0    112522-64-2 

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.8109-8116

148580-01-2    112522-64-2    1075719-60-6 

[1]BioorganicandMedicinalChemistry,2008,vol.16,p.8109-8116

Literature fold

Title: Inhibition of histone deacetylase 3 protects beta cells from cytokine-induced apoptosis.

Journal: Chemistry & biology20120622

Title: Combined inhibition of DNA methyltransferase and histone deacetylase restores caspase-8 expression and sensitizes SCLC cells to TRAIL.

Journal: Carcinogenesis20111001

Title: Interpreting clinical assays for histone deacetylase inhibitors.

Journal: Cancer management and research20110101

Title: Inside HDAC with HDAC inhibitors.

Journal: European journal of medicinal chemistry20100601

Title: Chemical phylogenetics of histone deacetylases.

Journal: Nature chemical biology20100301

Title: A novel histone deacetylase inhibitor Chidamide induces apoptosis of human colon cancer cells.

Journal: Biochemical and biophysical research communications20100205

Title: New clinical developments in histone deacetylase inhibitors for epigenetic therapy of cancer.

Journal: Journal of hematology & oncology20090101

Title: The potential role of histone deacetylase inhibitors in the treatment of non-small-cell lung cancer.

Journal: Critical reviews in oncology/hematology20081001

Title: Design, synthesis, and evaluation of novel mutual prodrugs (hybrid drugs) of all-trans-retinoic acid and histone deacetylase inhibitors with enhanced anticancer activities in breast and prostate cancer cells in vitro.

Journal: Journal of medicinal chemistry20080710

Title: CI-994 (N-acetyl-dinaline) in combination with conventional anti-cancer agents is effective against acute myeloid leukemia in vitro and in vivo.

Journal: Oncology reports20080601

Title: Epigenetic treatment of myelodysplastic syndromes and acute myeloid leukemias.

Journal: Current medicinal chemistry20080601

Title: Improved synthesis of histone deacetylase inhibitors (HDIs) (MS-275 and CI-994) and inhibitory effects of HDIs alone or in combination with RAMBAs or retinoids on growth of human LNCaP prostate cancer cells and tumor xenografts.

Journal: Bioorganic & medicinal chemistry20080315

Title: Exploration of the internal cavity of histone deacetylase (HDAC) with selective HDAC1/HDAC2 inhibitors (SHI-1:2).

Journal: Bioorganic & medicinal chemistry letters20080201

Title: Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity.

Journal: Journal of medicinal chemistry20071115

Title: Gemcitabine plus CI-994 offers no advantage over gemcitabine alone in the treatment of patients with advanced pancreatic cancer: results of a phase II randomized, double-blind, placebo-controlled, multicenter study.

Journal: Annals of oncology : official journal of the European Society for Medical Oncology20060701

Title: In vitro study of CI-994, a histone deacetylase inhibitor, in non-small cell lung cancer cell lines.

Journal: Oncology research20050101

Title: A phase I study of the oral combination of CI-994, a putative histone deacetylase inhibitor, and capecitabine.

Journal: Annals of oncology : official journal of the European Society for Medical Oncology20041101

Title: Modulation of histone acetylation by [4-(acetylamino)-N-(2-amino-phenyl) benzamide] in HCT-8 colon carcinoma.

Journal: Molecular cancer therapeutics20030401

Title: Phase I study of oral CI-994 in combination with gemcitabine in treatment of patients with advanced cancer.

Journal: Cancer journal (Sudbury, Mass.)20030101

Title: Latent hematopoietic stem cell toxicity associated with protracted drug administration.

Journal: Experimental hematology20010301

Title: Preclinical antitumor activity of CI-994.

Journal: Investigational new drugs19960101

Title: Moradei OM, et al. Novel aminophenyl benzamide-type histone deacetylase inhibitors with enhanced potency and selectivity. J Med Chem. 2007 Nov 15;50(23):5543-6.

Title: Loprevite M, etal. In vitro study of CI-994, a histone deacetylase inhibitor, in non-small cell lung cancer cell lines. Oncol Res. 2005;15(1):39-48.

Title: LoRusso PM, et al. Preclinical antitumor activity of CI-994. Invest New Drugs. 1996;14(4):349-56.

Title: Graziano MJ, et al. Immunotoxicity of the anticancer drug CI-994 in rats: effects on lymphoid tissue. Arch Toxicol. 1999 Apr-May;73(3):168-74.

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Submit
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