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Home Other Building Blocks 1702809-17-3
1702809-17-3,MFCD31563595
Catalog No.:AA01E2MU

1702809-17-3 | THZ531

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$63.00   $44.00
- +
5mg
98% by HPLC
in stock  
$209.00   $146.00
- +
10mg
98% by HPLC
in stock  
$309.00   $216.00
- +
25mg
98% by HPLC
in stock  
$582.00   $408.00
- +
50mg
98% by HPLC
in stock  
$947.00   $663.00
- +
100mg
98% by HPLC
in stock  
$1,592.00   $1,114.00
- +
500mg
98% by HPLC
in stock  
$4,996.00   $3,498.00
- +
1000mg
98% by HPLC
in stock  
$7,957.00   $5,570.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01E2MU
Chemical Name:
THZ531
CAS Number:
1702809-17-3
Molecular Formula:
C30H32ClN7O2
Molecular Weight:
558.0738
MDL Number:
MFCD31563595
SMILES:
CN(C/C=C/C(=O)Nc1ccc(cc1)C(=O)N1CCC[C@H](C1)Nc1ncc(c(n1)c1c[nH]c2c1cccc2)Cl)C
Properties
Computed Properties
 
Complexity:
880  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
40  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
8  
XLogP3:
4.1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2015/58126,2015,A1

[2]Jiang,Baishan;Jiang,Jie;Kaltheuner,InesH.;Iniguez,AmandaBalboni;Anand,Kanchan;Ferguson,FleurM.;Ficarro,ScottB.;Seong,BoKyungAlex;Greifenberg,AnnKatrin;Dust,Sofia;Kwiatkowski,NicholasP.;Marto,JarrodA.;Stegmaier,Kimberly;Zhang,Tinghu;Geyer,Matthias;Gray,NathanaelS.[EuropeanJournalofMedicinalChemistry,2021,vol.221]

[1]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2015/58126,2015,A1

[2]Jiang,Baishan;Jiang,Jie;Kaltheuner,InesH.;Iniguez,AmandaBalboni;Anand,Kanchan;Ferguson,FleurM.;Ficarro,ScottB.;Seong,BoKyungAlex;Greifenberg,AnnKatrin;Dust,Sofia;Kwiatkowski,NicholasP.;Marto,JarrodA.;Stegmaier,Kimberly;Zhang,Tinghu;Geyer,Matthias;Gray,NathanaelS.[EuropeanJournalofMedicinalChemistry,2021,vol.221]

[1]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2015/58126,2015,A1

[2]Jiang,Baishan;Jiang,Jie;Kaltheuner,InesH.;Iniguez,AmandaBalboni;Anand,Kanchan;Ferguson,FleurM.;Ficarro,ScottB.;Seong,BoKyungAlex;Greifenberg,AnnKatrin;Dust,Sofia;Kwiatkowski,NicholasP.;Marto,JarrodA.;Stegmaier,Kimberly;Zhang,Tinghu;Geyer,Matthias;Gray,NathanaelS.[EuropeanJournalofMedicinalChemistry,2021,vol.221]

[1]Jiang,Baishan;Jiang,Jie;Kaltheuner,InesH.;Iniguez,AmandaBalboni;Anand,Kanchan;Ferguson,FleurM.;Ficarro,ScottB.;Seong,BoKyungAlex;Greifenberg,AnnKatrin;Dust,Sofia;Kwiatkowski,NicholasP.;Marto,JarrodA.;Stegmaier,Kimberly;Zhang,Tinghu;Geyer,Matthias;Gray,NathanaelS.[EuropeanJournalofMedicinalChemistry,2021,vol.221]

[2]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2015/58126,2015,A1Locationinpatent:Paragraph181;182

[1]CurrentPatentAssignee:DANA-FARBERCANCERINSTITUTE-WO2015/58126,2015,A1

[2]Jiang,Baishan;Jiang,Jie;Kaltheuner,InesH.;Iniguez,AmandaBalboni;Anand,Kanchan;Ferguson,FleurM.;Ficarro,ScottB.;Seong,BoKyungAlex;Greifenberg,AnnKatrin;Dust,Sofia;Kwiatkowski,NicholasP.;Marto,JarrodA.;Stegmaier,Kimberly;Zhang,Tinghu;Geyer,Matthias;Gray,NathanaelS.[EuropeanJournalofMedicinalChemistry,2021,vol.221]

Literature

Title: Zhang T, et al. Covalent targeting of remote cysteine residues to develop CDK12 and CDK13 inhibitors. Nat Chem Biol. 2016 Oct;12(10):876-84.

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