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885066-67-1,MFCD30721575
Catalog No.:AA01DU6X

885066-67-1 | Benzeneacetic acid,3-[6-[[2-(2,4-dichlorophenyl)ethyl]amino]-2-methoxy-4-pyrimidinyl]-a,a-dimethyl-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$241.00   $169.00
- +
5mg
98%
in stock  
$445.00   $312.00
- +
10mg
98%
in stock  
$659.00   $462.00
- +
50mg
98%
in stock  
$1,666.00   $1,167.00
- +
100mg
98%
in stock  
$2,631.00   $1,842.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01DU6X
Chemical Name:
Benzeneacetic acid,3-[6-[[2-(2,4-dichlorophenyl)ethyl]amino]-2-methoxy-4-pyrimidinyl]-a,a-dimethyl-
CAS Number:
885066-67-1
Molecular Formula:
C23H23Cl2N3O3
Molecular Weight:
460.3530
MDL Number:
MFCD30721575
SMILES:
COc1nc(NCCc2ccc(cc2Cl)Cl)cc(n1)c1cccc(c1)C(C(=O)O)(C)C
Properties
Computed Properties
 
Complexity:
594  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
31  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
8  
XLogP3:
6.1  

Downstream Synthesis Route
885066-67-1    34813-49-5   
2-methylpropane-2-sulfonicacid(2-(3-(6-(2-(2,4-dichlorophenyl)ethylamino)-2-methoxypyrimidin-4-yl)phenyl)-2-methylpropionyl)amide 

[1]Patent:WO2007/121280,2007,A1.Locationinpatent:Page/Pagecolumn33

885066-67-1    1520-70-3   
ethanesulfonicacid2-(3-{6-2-(2,4-dichloro-phenyl)-ethylamino-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionyl-amide 

[1]Patent:WO2006/44732,2006,A2.Locationinpatent:Page/Pagecolumn223-224

885066-67-1    50893-36-2   
2-(3-{6-2-(2,4-dichloro-phenyl)-ethylamino-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionicacid1-ethoxycarbonyloxy-ethylester 

[1]Patent:WO2006/44732,2006,A2.Locationinpatent:Page/Pagecolumn174

[2]Patent:WO2008/39882,2008,A1.Locationinpatent:Page/Pagecolumn173-174

[1]Patent:WO2007/121280,2007,A1

[1]Patent:WO2007/121280,2007,A1

Literature

Title: Lim, Sungtaek, et al. 2, 6-SUBSTITUTED-4-MONOSUBSTITUTEDAMINO-PYRIMIDINE AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS. WO2006044732A2.

Title: Mu L, et al. Understanding DP receptor antagonism using a CoMSIA approach. Bioorg Med Chem Lett. 2011 Jan 1;21(1):66-75.

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SDS
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Tags:885066-67-1 Molecular Formula|885066-67-1 MDL|885066-67-1 SMILES|885066-67-1 Benzeneacetic acid,3-[6-[[2-(2,4-dichlorophenyl)ethyl]amino]-2-methoxy-4-pyrimidinyl]-a,a-dimethyl-
Catalog No.: AA01DU6X
885066-67-1,MFCD30721575
885066-67-1 | Benzeneacetic acid,3-[6-[[2-(2,4-dichlorophenyl)ethyl]amino]-2-methoxy-4-pyrimidinyl]-a,a-dimethyl-
Pack Size： 1mg
Purity： 98%
in stock
$241.00 $169.00
Pack Size： 5mg
Purity： 98%
in stock
$445.00 $312.00
Pack Size： 10mg
Purity： 98%
in stock
$659.00 $462.00
Pack Size： 50mg
Purity： 98%
in stock
$1,666.00 $1,167.00
Pack Size： 100mg
Purity： 98%
in stock
$2,631.00 $1,842.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01DU6X
Chemical Name: Benzeneacetic acid,3-[6-[[2-(2,4-dichlorophenyl)ethyl]amino]-2-methoxy-4-pyrimidinyl]-a,a-dimethyl-
CAS Number: 885066-67-1
Molecular Formula: C23H23Cl2N3O3
Molecular Weight: 460.3530
MDL Number: MFCD30721575
SMILES: COc1nc(NCCc2ccc(cc2Cl)Cl)cc(n1)c1cccc(c1)C(C(=O)O)(C)C
Properties
Complexity: 594  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 31  
Hydrogen Bond Acceptor Count: 6  
Hydrogen Bond Donor Count: 2  
Rotatable Bond Count: 8  
XLogP3: 6.1  
Downstream Synthesis Route
885066-67-1    34813-49-5   
2-methylpropane-2-sulfonicacid(2-(3-(6-(2-(2,4-dichlorophenyl)ethylamino)-2-methoxypyrimidin-4-yl)phenyl)-2-methylpropionyl)amide 

[1]Patent:WO2007/121280,2007,A1.Locationinpatent:Page/Pagecolumn33

885066-67-1    1520-70-3   
ethanesulfonicacid2-(3-{6-2-(2,4-dichloro-phenyl)-ethylamino-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionyl-amide 

[1]Patent:WO2006/44732,2006,A2.Locationinpatent:Page/Pagecolumn223-224

885066-67-1    50893-36-2   
2-(3-{6-2-(2,4-dichloro-phenyl)-ethylamino-2-methoxy-pyrimidin-4-yl}-phenyl)-2-methyl-propionicacid1-ethoxycarbonyloxy-ethylester 

[1]Patent:WO2006/44732,2006,A2.Locationinpatent:Page/Pagecolumn174

[2]Patent:WO2008/39882,2008,A1.Locationinpatent:Page/Pagecolumn173-174

81606-47-5    885066-67-1 

[1]Patent:WO2007/121280,2007,A1

1074-40-4    885066-67-1 

[1]Patent:WO2007/121280,2007,A1

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