664334-36-5,MFCD30718169
Catalog No.:AA01EMYC

664334-36-5 | BKT140

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$218.00   $152.00
- +
5mg
in stock  
$629.00   $440.00
- +
10mg
in stock  
$950.00   $665.00
- +
25mg
in stock  
$1,843.00   $1,290.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01EMYC
Chemical Name:
BKT140
CAS Number:
664334-36-5
Molecular Formula:
C97H144FN33O19S2
Molecular Weight:
2159.5194
MDL Number:
MFCD30718169
SMILES:
NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2
Properties
Computed Properties
 
Complexity:
4500  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
14  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
152  
Hydrogen Bond Acceptor Count:
28  
Hydrogen Bond Donor Count:
34  
Isotope Atom Count:
0  
Rotatable Bond Count:
53  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-2.9  

Literature

Title: Enhancement of the T140-based pharmacophores leads to the development of more potent and bio-stable CXCR4 antagonists.

Journal: Organic & biomolecular chemistry 20031107

Title: Peled A, et al. The high-affinity CXCR4 antagonist BKT140 is safe and induces a robust mobilization of human CD34+ cellsin patients with multiple myeloma. Clin Cancer Res. 2014 Jan 15;20(2):469-79.

Title: Beider K, et al. CXCR4 antagonist 4F-benzoyl-TN14003 inhibits leukemia and multiple myeloma tumor growth. Exp Hematol. 2011 Mar;39(3):282-92.

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Related Products of 664334-36-5
Tags:664334-36-5 Molecular Formula|664334-36-5 MDL|664334-36-5 SMILES|664334-36-5 BKT140
Catalog No.: AA01EMYC
664334-36-5,MFCD30718169
664334-36-5 | BKT140
Pack Size: 1mg
Purity: ≥95%
in stock
$218.00 $152.00
Pack Size: 5mg
Purity:
in stock
$629.00 $440.00
Pack Size: 10mg
Purity:
in stock
$950.00 $665.00
Pack Size: 25mg
Purity:
in stock
$1,843.00 $1,290.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA01EMYC
Chemical Name: BKT140
CAS Number: 664334-36-5
Molecular Formula: C97H144FN33O19S2
Molecular Weight: 2159.5194
MDL Number: MFCD30718169
SMILES: NCCCC[C@@H]1NC(=O)[C@H](CCCNC(=O)N)NC(=O)[C@H](Cc2ccc(cc2)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H]2N(C(=O)[C@H](NC1=O)CCCCN)CCC2)Cc1ccc(cc1)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@H](C(=O)N)CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)c1ccc(cc1)F)CCCNC(=N)N)CCCNC(=N)N)Cc1ccc2c(c1)cccc2
Properties
Complexity: 4500  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 14  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 152  
Hydrogen Bond Acceptor Count: 28  
Hydrogen Bond Donor Count: 34  
Isotope Atom Count: 0  
Rotatable Bond Count: 53  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -2.9  
Literature fold

Title: Enhancement of the T140-based pharmacophores leads to the development of more potent and bio-stable CXCR4 antagonists.

Journal: Organic & biomolecular chemistry20031107

Title: Peled A, et al. The high-affinity CXCR4 antagonist BKT140 is safe and induces a robust mobilization of human CD34+ cellsin patients with multiple myeloma. Clin Cancer Res. 2014 Jan 15;20(2):469-79.

Title: Beider K, et al. CXCR4 antagonist 4F-benzoyl-TN14003 inhibits leukemia and multiple myeloma tumor growth. Exp Hematol. 2011 Mar;39(3):282-92.

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