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Home Amines 357166-30-4
357166-30-4,MFCD13194950
Catalog No.:AA00IKGF

357166-30-4 | L-Glutamic acid,N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-,sodium salt, hydrate (2:4:5) (9CI)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$42.00   $29.00
- +
5g
95%
in stock  
$140.00   $98.00
- +
25g
95%
in stock  
$486.00   $340.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA00IKGF
Chemical Name:
L-Glutamic acid,N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-,sodium salt, hydrate (2:4:5) (9CI)
CAS Number:
357166-30-4
Molecular Formula:
C40H48N10Na4O17
Molecular Weight:
1032.8250
MDL Number:
MFCD13194950
SMILES:
[O-]C(=O)CCC(C(=O)[O-])NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N.[O-]C(=O)CCC(C(=O)[O-])NC(=O)c1ccc(cc1)CCc1c[nH]c2c1c(=O)nc([nH]2)N.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
Properties
Computed Properties
 
Complexity:
737  
Covalently-Bonded Unit Count:
11  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
71  
Hydrogen Bond Acceptor Count:
19  
Hydrogen Bond Donor Count:
13  
Rotatable Bond Count:
14  

Literature

Title: Shih C, et al. LY231514, a pyrrolo,3-dpyrimidine-based antifolate that inhibits multiple folate-requiring enzymes. Cancer Res. 1997 Mar 15;57(6):1116-23.

Title: Anraku M, et al. Synergistic antitumor effects of regulatory T cell blockade combined with pemetrexed in murine malignantmesothelioma. J Immunol. 2010 Jul 15;185(2):956-66.

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SDS
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Tags:357166-30-4 Molecular Formula|357166-30-4 MDL|357166-30-4 SMILES|357166-30-4 L-Glutamic acid,N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-,sodium salt, hydrate (2:4:5) (9CI)