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Home Amines 1564286-55-0
1564286-55-0,MFCD28385850
Catalog No.:AA00ABKQ

1564286-55-0 | (3S)-N-[3-Hydroxy-5-[(1,4,5,6-tetrahydro-5-hydroxy-2-pyriMidinyl)aMino] benzoyl]glycyl-3-(3-broMo-5-t-butylphenyl)-beta-alanine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$53.00   $37.00
- +
5mg
≥98%
in stock  
$216.00   $151.00
- +
10mg
98% by HPLC
in stock  
$335.00   $234.00
- +
25mg
95%
in stock  
$368.00   $258.00
- +
100mg
95%
in stock  
$998.00   $699.00
- +
250mg
95%
in stock  
$2,071.00   $1,450.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Download SDS
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00ABKQ
Chemical Name:
(3S)-N-[3-Hydroxy-5-[(1,4,5,6-tetrahydro-5-hydroxy-2-pyriMidinyl)aMino] benzoyl]glycyl-3-(3-broMo-5-t-butylphenyl)-beta-alanine
CAS Number:
1564286-55-0
Molecular Formula:
C26H32BrN5O6
Molecular Weight:
590.4662
MDL Number:
MFCD28385850
SMILES:
NCC(=O)N(C(=O)c1cc(O)cc(c1)NC1=NCC(CN1)O)CC(c1cc(Br)cc(c1)C(C)(C)C)C(=O)O
Properties
Computed Properties
 
Complexity:
881  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
38  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
7  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
1  
XLogP3:
1.6  

Literature

Title: Henderson NC, et al. Targeting of αv integrin identifies a core molecular pathway that regulates fibrosis in several organs. Nat Med. 2013 Dec;19(12):1617-24.

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SDS
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Tags:1564286-55-0 Molecular Formula|1564286-55-0 MDL|1564286-55-0 SMILES|1564286-55-0 (3S)-N-[3-Hydroxy-5-[(1,4,5,6-tetrahydro-5-hydroxy-2-pyriMidinyl)aMino] benzoyl]glycyl-3-(3-broMo-5-t-butylphenyl)-beta-alanine