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148869-05-0,MFCD00917039
Catalog No.:AA007J8S

148869-05-0 | Benzonitrile,4-[[(4-bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
100%
1 week  
$119.00   $84.00
- +
2mg
100%
1 week  
$148.00   $104.00
- +
5mg
100%
1 week  
$204.00   $143.00
- +
10mg
100%
1 week  
$301.00   $211.00
- +
25mg
100%
1 week  
$578.00   $404.00
- +
50mg
100%
1 week  
$890.00   $623.00
- +
100mg
100%
1 week  
$1,186.00   $830.00
- +
500mg
100%
1 week  
$2,320.00   $1,624.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007J8S
Chemical Name:
Benzonitrile,4-[[(4-bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]-
CAS Number:
148869-05-0
Molecular Formula:
C16H12BrN5
Molecular Weight:
354.2040
MDL Number:
MFCD00917039
SMILES:
N#Cc1ccc(cc1)N(n1cnnc1)Cc1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
387  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Literature

Title: Bicyclic derivatives of the potent dual aromatase-steroid sulfatase inhibitor 2-bromo-4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenylsulfamate: synthesis, SAR, crystal structure, and in vitro and in vivo activities.

Journal: ChemMedChem 20100903

Title: Dual aromatase-steroid sulfatase inhibitors.

Journal: Journal of medicinal chemistry 20070726

Title: A letrozole-based dual aromatase-sulphatase inhibitor with in vivo activity.

Journal: The Journal of steroid biochemistry and molecular biology 20050201

Title: First dual aromatase-steroid sulfatase inhibitors.

Journal: Journal of medicinal chemistry 20030717

Title: Early phase II study of the new aromatase inhibitor YM511 in postmenopausal patients with breast cancer. Difficulty in clinical dose recommendation based on preclinical and phase I findings.

Journal: Anticancer research 20030101

Title: Inhibitory effect of a novel non-steroidal aromatase inhibitor, YM511 on the proliferation of MCF-7 human breast cancer cell.

Journal: The Journal of steroid biochemistry and molecular biology 19960501

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Tags:148869-05-0 Molecular Formula|148869-05-0 MDL|148869-05-0 SMILES|148869-05-0 Benzonitrile,4-[[(4-bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]-
Catalog No.: AA007J8S
148869-05-0,MFCD00917039
148869-05-0 | Benzonitrile,4-[[(4-bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]-
Pack Size： 1mg
Purity： 100%
1 week
$119.00 $84.00
Pack Size： 2mg
Purity： 100%
1 week
$148.00 $104.00
Pack Size： 5mg
Purity： 100%
1 week
$204.00 $143.00
Pack Size： 10mg
Purity： 100%
1 week
$301.00 $211.00
Pack Size： 25mg
Purity： 100%
1 week
$578.00 $404.00
Pack Size： 50mg
Purity： 100%
1 week
$890.00 $623.00
Pack Size： 100mg
Purity： 100%
1 week
$1,186.00 $830.00
Pack Size： 500mg
Purity： 100%
1 week
$2,320.00 $1,624.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007J8S
Chemical Name: Benzonitrile,4-[[(4-bromophenyl)methyl]-4H-1,2,4-triazol-4-ylamino]-
CAS Number: 148869-05-0
Molecular Formula: C16H12BrN5
Molecular Weight: 354.2040
MDL Number: MFCD00917039
SMILES: N#Cc1ccc(cc1)N(n1cnnc1)Cc1ccc(cc1)Br
Properties
Complexity: 387  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 22  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Literature fold

Title: Bicyclic derivatives of the potent dual aromatase-steroid sulfatase inhibitor 2-bromo-4-{[(4-cyanophenyl)(4h-1,2,4-triazol-4-yl)amino]methyl}phenylsulfamate: synthesis, SAR, crystal structure, and in vitro and in vivo activities.

Journal: ChemMedChem20100903

Title: Dual aromatase-steroid sulfatase inhibitors.

Journal: Journal of medicinal chemistry20070726

Title: A letrozole-based dual aromatase-sulphatase inhibitor with in vivo activity.

Journal: The Journal of steroid biochemistry and molecular biology20050201

Title: First dual aromatase-steroid sulfatase inhibitors.

Journal: Journal of medicinal chemistry20030717

Title: Early phase II study of the new aromatase inhibitor YM511 in postmenopausal patients with breast cancer. Difficulty in clinical dose recommendation based on preclinical and phase I findings.

Journal: Anticancer research20030101

Title: Inhibitory effect of a novel non-steroidal aromatase inhibitor, YM511 on the proliferation of MCF-7 human breast cancer cell.

Journal: The Journal of steroid biochemistry and molecular biology19960501

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