76575-31-0,MFCD01922211
Catalog No.:AA003Q0K

76575-31-0 | Ethyl 2-amino-5-propylthiophene-3-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003Q0K
Chemical Name:
Ethyl 2-amino-5-propylthiophene-3-carboxylate
CAS Number:
76575-31-0
Molecular Formula:
C10H15NO2S
Molecular Weight:
213.2966
MDL Number:
MFCD01922211
SMILES:
CCOC(=O)c1cc(sc1N)CCC
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
199  
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:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.2  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,1981,vol.24,p.878-882

[2]Patent:US4230707,1980,A

[1]Pisal,MaheshM.;Annadate,RiteshA.;Athalye,MeghanaC.;Kumar,Deepak;Chavan,SubhashP.;Sarkar,Dhiman;Borate,HanumantB.[BioorganicandMedicinalChemistryLetters,2017,vol.27,#4,p.979-988]

[2]Pisal,MaheshM.;Nawale,LaxmanU.;Patil,ManojD.;Bhansali,SujitG.;Gajbhiye,JayantM.;Sarkar,Dhiman;Chavan,SubhashP.;Borate,HanumantB.[EuropeanJournalofMedicinalChemistry,2017,vol.127,p.459-469]

24973-50-0    76575-31-0   
2-(1,1'-biphenyl-4-ylmethyl)-6-propylthieno2,3-d-pyrimidin-4(3H)-one 

[1]JournalofMedicinalChemistry,2017,vol.60,p.9990-10012

Literature

Title: Menin-MLL inhibitors reverse oncogenic activity of MLL fusion proteins in leukemia.

Journal: Nature chemical biology 20120129

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SDS
Tags:76575-31-0 Molecular Formula|76575-31-0 MDL|76575-31-0 SMILES|76575-31-0 Ethyl 2-amino-5-propylthiophene-3-carboxylate
Catalog No.: AA003Q0K
76575-31-0,MFCD01922211
76575-31-0 | Ethyl 2-amino-5-propylthiophene-3-carboxylate
Pack Size: 1g
Purity: 95%
in stock
$81.00 $57.00
Pack Size: 5g
Purity: 95%
in stock
$321.00 $225.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003Q0K
Chemical Name: Ethyl 2-amino-5-propylthiophene-3-carboxylate
CAS Number: 76575-31-0
Molecular Formula: C10H15NO2S
Molecular Weight: 213.2966
MDL Number: MFCD01922211
SMILES: CCOC(=O)c1cc(sc1N)CCC
Properties
Storage: Keep in dry area;2-8℃;  
Complexity: 199  
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: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.2  
Downstream Synthesis Route
6271-78-9    76575-31-0    76575-54-7 

[1]JournalofMedicinalChemistry,1981,vol.24,p.878-882

[2]Patent:US4230707,1980,A

76575-31-0    60100-09-6    439692-81-6 

[1]Pisal,MaheshM.;Annadate,RiteshA.;Athalye,MeghanaC.;Kumar,Deepak;Chavan,SubhashP.;Sarkar,Dhiman;Borate,HanumantB.[BioorganicandMedicinalChemistryLetters,2017,vol.27,#4,p.979-988]

[2]Pisal,MaheshM.;Nawale,LaxmanU.;Patil,ManojD.;Bhansali,SujitG.;Gajbhiye,JayantM.;Sarkar,Dhiman;Chavan,SubhashP.;Borate,HanumantB.[EuropeanJournalofMedicinalChemistry,2017,vol.127,p.459-469]

24973-50-0    76575-31-0   
2-(1,1'-biphenyl-4-ylmethyl)-6-propylthieno2,3-d-pyrimidin-4(3H)-one 

[1]JournalofMedicinalChemistry,2017,vol.60,p.9990-10012

Literature fold

Title: Menin-MLL inhibitors reverse oncogenic activity of MLL fusion proteins in leukemia.

Journal: Nature chemical biology20120129

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