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4452-06-6,MFCD04974535
Catalog No.:AA00DANV

4452-06-6 | Zm 449829

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
≥95%
in stock  
$123.00   $86.00
- +
10mg
≥95%
in stock  
$218.00   $152.00
- +
25mg
≥95%
in stock  
$509.00   $356.00
- +
50mg
≥95%
in stock  
$959.00   $671.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DANV
Chemical Name:
Zm 449829
CAS Number:
4452-06-6
Molecular Formula:
C13H10O
Molecular Weight:
182.2179
MDL Number:
MFCD04974535
SMILES:
C=CC(=O)c1ccc2c(c1)cccc2
Properties
Computed Properties
 
Complexity:
231  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.8  

Downstream Synthesis Route

[1]ChemicalCommunications,2005,p.2399-2401

[1]JournalofOrganicChemistry,2011,vol.76,p.3676-3683

[1]Guo,Shi-Huan;Xing,Sheng-Zhu;Mao,Shuai;Gao,Ya-Ru;Chen,Wen-Liang;Wang,Yong-Qiang[TetrahedronLetters,2014,vol.55,#49,p.6718-6720]

[2]Yang,Tang-Po;Li,Qiang;Lin,Jin-Hong;Xiao,Ji-Chang[ChemicalCommunications,2014,vol.50,#9,p.1077-1079]Duan,Yaya;Zhou,Bin;Lin,Jin-Hong;Xiao,Ji-Chang[ChemicalCommunications,2015,vol.51,#66,p.13127-13130]

[3]Rao,MaddaliL.N.;Ramakrishna,BodduS.[EuropeanJournalofOrganicChemistry,2019,vol.2019,#46,p.7545-7554]

[4]Zhang,Yu;Liu,Bin;Wu,Xingyu;Lei,Ridong;Ning,Xianling;Liu,Yu;Liu,Zhenming;Ge,Zemei;Li,Runtao;Yin,Yuxin[BioorganicandMedicinalChemistry,2015,vol.23,#15,p.4815-4823]

[5]Li,Ya-Qiong;Wang,Hai-Jun;Huang,Zhi-Zhen[JournalofOrganicChemistry,2016,vol.81,#11,p.4429-4433]

[6]Hommelsheim,Renè;Hock,KatharinaJ.;Schumacher,Christian;Hussein,MohanadA.;Nguyen,ThanhV.;Koenigs,ReneM.[ChemicalCommunications,2018,vol.54,#81,p.11439-11442]

[7]Liu,Penglin;Huo,Xiaohong;Li,Bowen;He,Rui;Zhang,Jiacheng;Wang,Tianhong;Xie,Fang;Zhang,Wanbin[OrganicLetters,2018,vol.20,#20,p.6564-6568]

[8]Zeng,Weijun;Tan,Xuefeng;Yu,Yang;Chen,Gen-Qiang;Zhang,Xumu[OrganicLetters,2020,vol.22,#3,p.858-862]

[9]Beltran-Hortelano,Iván;Atherton,RichardL.;Rubio-Hernández,Mercedes;Sanz-Serrano,Julen;Alcolea,Verónica;Kelly,JohnM.;Pérez-Silanes,Silvia;Olmo,Francisco[EuropeanJournalofMedicinalChemistry,2021,vol.223]

[10]Li,Guanlin;Zhao,Ling;Luo,Yicong;Peng,Youbin;Xu,Kai;Huo,Xiaohong;Zhang,Wanbin[Chemistry-AEuropeanJournal,2022,vol.28,#24]

Literature

Title: Adenosine mimetics as inhibitors of NAD+-dependent histone deacetylases, from kinase to sirtuin inhibition.

Journal: Journal of medicinal chemistry 20061214

Title: Naphthyl ketones: a new class of Janus kinase 3 inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20000320

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SDS
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Tags:4452-06-6 Molecular Formula|4452-06-6 MDL|4452-06-6 SMILES|4452-06-6 Zm 449829
Catalog No.: AA00DANV
4452-06-6,MFCD04974535
4452-06-6 | Zm 449829
Pack Size： 5mg
Purity： ≥95%
in stock
$123.00 $86.00
Pack Size： 10mg
Purity： ≥95%
in stock
$218.00 $152.00
Pack Size： 25mg
Purity： ≥95%
in stock
$509.00 $356.00
Pack Size： 50mg
Purity： ≥95%
in stock
$959.00 $671.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DANV
Chemical Name: Zm 449829
CAS Number: 4452-06-6
Molecular Formula: C13H10O
Molecular Weight: 182.2179
MDL Number: MFCD04974535
SMILES: C=CC(=O)c1ccc2c(c1)cccc2
Properties
Complexity: 231  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.8  
Downstream Synthesis Route
1826-67-1    113443-62-2    4452-06-6 

[1]ChemicalCommunications,2005,p.2399-2401

50-00-0    893-33-4    4452-06-6 

[1]JournalofOrganicChemistry,2011,vol.76,p.3676-3683

50-00-0    93-08-3    4452-06-6 

[1]Guo,Shi-Huan;Xing,Sheng-Zhu;Mao,Shuai;Gao,Ya-Ru;Chen,Wen-Liang;Wang,Yong-Qiang[TetrahedronLetters,2014,vol.55,#49,p.6718-6720]

[2]Yang,Tang-Po;Li,Qiang;Lin,Jin-Hong;Xiao,Ji-Chang[ChemicalCommunications,2014,vol.50,#9,p.1077-1079]Duan,Yaya;Zhou,Bin;Lin,Jin-Hong;Xiao,Ji-Chang[ChemicalCommunications,2015,vol.51,#66,p.13127-13130]

[3]Rao,MaddaliL.N.;Ramakrishna,BodduS.[EuropeanJournalofOrganicChemistry,2019,vol.2019,#46,p.7545-7554]

[4]Zhang,Yu;Liu,Bin;Wu,Xingyu;Lei,Ridong;Ning,Xianling;Liu,Yu;Liu,Zhenming;Ge,Zemei;Li,Runtao;Yin,Yuxin[BioorganicandMedicinalChemistry,2015,vol.23,#15,p.4815-4823]

[5]Li,Ya-Qiong;Wang,Hai-Jun;Huang,Zhi-Zhen[JournalofOrganicChemistry,2016,vol.81,#11,p.4429-4433]

[6]Hommelsheim,Renè;Hock,KatharinaJ.;Schumacher,Christian;Hussein,MohanadA.;Nguyen,ThanhV.;Koenigs,ReneM.[ChemicalCommunications,2018,vol.54,#81,p.11439-11442]

[7]Liu,Penglin;Huo,Xiaohong;Li,Bowen;He,Rui;Zhang,Jiacheng;Wang,Tianhong;Xie,Fang;Zhang,Wanbin[OrganicLetters,2018,vol.20,#20,p.6564-6568]

[8]Zeng,Weijun;Tan,Xuefeng;Yu,Yang;Chen,Gen-Qiang;Zhang,Xumu[OrganicLetters,2020,vol.22,#3,p.858-862]

[9]Beltran-Hortelano,Iván;Atherton,RichardL.;Rubio-Hernández,Mercedes;Sanz-Serrano,Julen;Alcolea,Verónica;Kelly,JohnM.;Pérez-Silanes,Silvia;Olmo,Francisco[EuropeanJournalofMedicinalChemistry,2021,vol.223]

[10]Li,Guanlin;Zhao,Ling;Luo,Yicong;Peng,Youbin;Xu,Kai;Huo,Xiaohong;Zhang,Wanbin[Chemistry-AEuropeanJournal,2022,vol.28,#24]

Literature fold

Title: Adenosine mimetics as inhibitors of NAD+-dependent histone deacetylases, from kinase to sirtuin inhibition.

Journal: Journal of medicinal chemistry20061214

Title: Naphthyl ketones: a new class of Janus kinase 3 inhibitors.

Journal: Bioorganic & medicinal chemistry letters20000320

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