879127-16-9,MFCD09265250
Catalog No.:AA004HHR

879127-16-9 | Aurora Kinase Inhibitor III

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98%
in stock  
$15.00   $11.00
- +
5mg
98%
in stock  
$37.00   $26.00
- +
10mg
98%
in stock  
$55.00   $38.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA004HHR
Chemical Name:
Aurora Kinase Inhibitor III
CAS Number:
879127-16-9
Molecular Formula:
C21H18F3N5O
Molecular Weight:
413.3957
MDL Number:
MFCD09265250
SMILES:
O=C(C1CC1)Nc1cccc(c1)Nc1nccc(n1)Nc1cccc(c1)C(F)(F)F
Properties
Properties
 
Form:
Solid  
Storage:
Light sensitive;Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
586  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
6  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.5  

Literature

Title: A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.

Journal: The Biochemical journal 20130415

Title: Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.

Journal: Nature biotechnology 20111101

Title: Identification of new inhibitors of protein kinase R guided by statistical modeling.

Journal: Bioorganic & medicinal chemistry letters 20110701

Title: A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.

Journal: Proceedings of the National Academy of Sciences of the United States of America 20071218

Title: Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20070201

Title: Tari LW, et al. Structural basis for the inhibition of Aurora A kinase by a novel class of high affinitydisubstituted pyrimidine inhibitors. Bioorg Med Chem Lett. 2007 Feb 1;17(3):688-91.

Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Country:
Additional Info:
SDS
Related Products of 879127-16-9
Tags:879127-16-9 Molecular Formula|879127-16-9 MDL|879127-16-9 SMILES|879127-16-9 Aurora Kinase Inhibitor III
Catalog No.: AA004HHR
879127-16-9,MFCD09265250
879127-16-9 | Aurora Kinase Inhibitor III
Pack Size: 1mg
Purity: 98%
in stock
$15.00 $11.00
Pack Size: 5mg
Purity: 98%
in stock
$37.00 $26.00
Pack Size: 10mg
Purity: 98%
in stock
$55.00 $38.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA004HHR
Chemical Name: Aurora Kinase Inhibitor III
CAS Number: 879127-16-9
Molecular Formula: C21H18F3N5O
Molecular Weight: 413.3957
MDL Number: MFCD09265250
SMILES: O=C(C1CC1)Nc1cccc(c1)Nc1nccc(n1)Nc1cccc(c1)C(F)(F)F
Properties
Form: Solid  
Storage: Light sensitive;Keep in dry area;2-8℃;  
Complexity: 586  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 30  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 6  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.5  
Literature fold

Title: A broad activity screen in support of a chemogenomic map for kinase signalling research and drug discovery.

Journal: The Biochemical journal20130415

Title: Comprehensive assay of kinase catalytic activity reveals features of kinase inhibitor selectivity.

Journal: Nature biotechnology20111101

Title: Identification of new inhibitors of protein kinase R guided by statistical modeling.

Journal: Bioorganic & medicinal chemistry letters20110701

Title: A systematic interaction map of validated kinase inhibitors with Ser/Thr kinases.

Journal: Proceedings of the National Academy of Sciences of the United States of America20071218

Title: Structural basis for the inhibition of Aurora A kinase by a novel class of high affinity disubstituted pyrimidine inhibitors.

Journal: Bioorganic & medicinal chemistry letters20070201

Title: Tari LW, et al. Structural basis for the inhibition of Aurora A kinase by a novel class of high affinitydisubstituted pyrimidine inhibitors. Bioorg Med Chem Lett. 2007 Feb 1;17(3):688-91.

Building Blocks More >
874459-75-3
874459-75-3
4-(2-Acetamidoethyl)phenylboronic acid
AA004IV8 | MFCD09878326
870521-30-5
870521-30-5
2-Isoproxypyridine-5-boronic acid
AA004JI7 | MFCD07368870
871329-59-8
871329-59-8
N,N-Dimethyl 3-boronobenzenesulfonamide
AA004KJM | MFCD07363747
88398-41-8
88398-41-8
1H-Pyrazole-4-sulfonamide, 5-methoxy-1,3-dimethyl-
AA004LEJ | MFCD27920047
848821-58-9
848821-58-9
(S)-(-)-Alpha,alpha-diphenyl-2-pyrrolidinemethanol trimethylsilyl ether
AA004M6Q | MFCD08690083
874219-30-4
874219-30-4
4-Fluoro-3-(piperidine-1-carbonyl)phenylboronic acid
AA004MVB | MFCD08235049
869891-41-8
869891-41-8
Methyl 2,4-dihydroxy-6-methylpyrimidine-5-carboxylate
AA004NU4 | MFCD20133912
842138-74-3
842138-74-3
1-(5-Bromoquinoxalin-6-yl)thiourea
AA004OOE | MFCD08445609
850623-63-1
850623-63-1
Potassium (4-aminocarbonylphenyl)trifluoroborate
AA004P7B | MFCD04115758
850314-47-5
850314-47-5
2-tert-Butyl-5-chloro-1,1-dioxoisothiazol-3(2h)-one
AA004PVB | MFCD09029621
Submit
© 2017 AA BLOCKS, INC. All rights reserved.