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402567-16-2,MFCD19443754
Catalog No.:AA00C6CR

402567-16-2 | Firategrast

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25mg
98%
in stock  
$758.00   $531.00
- +
100mg
98%
in stock  
$1,820.00   $1,274.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C6CR
Chemical Name:
Firategrast
CAS Number:
402567-16-2
Molecular Formula:
C27H27F2NO6
Molecular Weight:
499.5032
MDL Number:
MFCD19443754
SMILES:
CCOCc1cc(OC)c(c(c1)OC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(F)cccc1F
Properties
Computed Properties
 
Complexity:
680  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.6  

Literature

Title: Moses O. Evbuomwan, et al. Generation and Characterization of Novel VLA-4 Inhibitors for Stem Cell Mobilization in Combination with a CXCR2 Agonist. Blood (2017) 130 (Supplement 1): 3197.

Title: Sarah E M Herman, et al. Treatment with Ibrutinib Inhibits BTK- and VLA-4-Dependent Adhesion of Chronic Lymphocytic Leukemia Cells In Vivo. Clin Cancer Res. 2015 Oct 15;21(20):4642-51.

Title: Eva Szenes, et al. TCL1 transgenic mice as a model for CD49d-high chronic lymphocytic leukemia. Leukemia. 2020 Sep;34(9):2498-2502.

Title: H Rahimi, et al. Aberrant regulation of the integrin very late antigen-4 in systemic lupus erythematosus. Lupus. 2013 Mar;22(3):297-306.

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SDS
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Tags:402567-16-2 Molecular Formula|402567-16-2 MDL|402567-16-2 SMILES|402567-16-2 Firategrast
Catalog No.: AA00C6CR
402567-16-2,MFCD19443754
402567-16-2 | Firategrast
Pack Size： 25mg
Purity： 98%
in stock
$758.00 $531.00
Pack Size： 100mg
Purity： 98%
in stock
$1,820.00 $1,274.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA00C6CR
Chemical Name: Firategrast
CAS Number: 402567-16-2
Molecular Formula: C27H27F2NO6
Molecular Weight: 499.5032
MDL Number: MFCD19443754
SMILES: CCOCc1cc(OC)c(c(c1)OC)c1ccc(cc1)C[C@@H](C(=O)O)NC(=O)c1c(F)cccc1F
Properties
Complexity: 680  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 36  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 11  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.6  
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