200,000+ products from a single source!
sales@angenechem.com
125991-51-7 | L-Glutamic acid, N-[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]-
CAS No: 125991-51-7 Catalog No: AG000QMF MDL No:
Product Description
Catalog Number:
AG000QMF
Chemical Name:
L-Glutamic acid, N-[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]-
CAS Number:
125991-51-7
Molecular Formula:
C21H24N6O5
Molecular Weight:
440.4525
IUPAC Name:
(2S)-2-[[4-[3-(2,4-diamino-7H-pyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioic acid
InChI:
InChI=1S/C21H24N6O5/c22-17-16-13(10-24-18(16)27-21(23)26-17)3-1-2-11-4-6-12(7-5-11)19(30)25-14(20(31)32)8-9-15(28)29/h4-7,10,14H,1-3,8-9H2,(H,25,30)(H,28,29)(H,31,32)(H5,22,23,24,26,27)/t14-/m0/s1
InChI Key:
WLGCEMWNUHSIIS-AWEZNQCLSA-N
SMILES:
OC(=O)CC[C@@H](C(=O)O)NC(=O)c1ccc(cc1)CCCc1c[nH]c2c1c(N)nc(n2)N
UNII:
48GO5ZA420
Properties
Complexity:
671
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
440.181g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
440.46g/mol
Monoisotopic Mass:
440.181g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
197A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Literature
| Title | Journal |
|---|---|
| A new and efficient synthesis of pyrrolo[2,3-d]pyrimidine anticancer agents: Alimta (LY231514, MTA), homo-Alimta, TNP-351, and some aryl 5-substituted pyrrolo[2,3-d]pyrimidines. | The Journal of organic chemistry 20031226 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.