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Home Other Building Blocks 2146095-85-2
2146095-85-2,MFCD31657406
Catalog No.:AA01EO1U

2146095-85-2 | SHIN1

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$122.00   $85.00
- +
5mg
≥98%
in stock  
$543.00   $380.00
- +
10mg
≥98%
in stock  
$963.00   $674.00
- +
25mg
≥98%
in stock  
$2,106.00   $1,474.00
- +
50mg
≥98%(HPLC)
in stock  
$4,147.00   $2,903.00
- +
100mg
≥98%(HPLC)
in stock  
$7,136.00   $4,995.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA01EO1U
Chemical Name:
SHIN1
CAS Number:
2146095-85-2
Molecular Formula:
C24H24N4O2
Molecular Weight:
400.4730
MDL Number:
MFCD31657406
SMILES:
OCc1cc(cc(c1)C1(C(C)C)C(=C(N)Oc2c1c(C)n[nH]2)C#N)c1ccccc1
Properties
Computed Properties
 
Complexity:
707  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
30  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
1  
XLogP3:
4.4  

Literature

Title: Ducker GS, et al. Human SHMT inhibitors reveal defective glycine import as a targetable metabolic vulnerability of diffuse large B-cell lymphoma. Proc Natl Acad Sci U S A. 2017 Oct 24;114(43):11404-11409.

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SDS
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Tags:2146095-85-2 Molecular Formula|2146095-85-2 MDL|2146095-85-2 SMILES|2146095-85-2 SHIN1