(2S)-2-((4-(2-(2-Amino-1-methyl-4-oxo-4,7-dihydro-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)amino)pentanedioic Acid

cas: 869791-42-4 — see every product listed under this CAS number, including other names

(2S)-2-((4-(2-(2-Amino-1-methyl-4-oxo-4,7-dihydro-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)amino)pentanedioic Acid (CAS 869791-42-4) is a chemical reagent available from Chemat. Available pack sizes: 25mg. Offered by: Mikromol.

brandMikromol
catalog numberMM1301.01-0025
cas869791-42-4
size25mg
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Structural formula: {0} (CAS {1})

(2S)-2-[[4-[2-(2-amino-1-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid (CAS 869791-42-4) is a chemical compound with the molecular formula C21H23N5O6 and a molecular weight of 441.4 g/mol. IUPAC name: (2S)-2-[[4-[2-(2-amino-1-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid. InChIKey: JKULRGFPYBAJTE-AWEZNQCLSA-N.

Identity
Molecular formulaC21H23N5O6
Molecular weight441.4 g/mol
IUPAC name(2S)-2-[[4-[2-(2-amino-1-methyl-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
InChIKeyJKULRGFPYBAJTE-AWEZNQCLSA-N
SMILESCN1C2=C(C(=CN2)CCC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N=C1N

Computed by PubChem (NCBI)

Synonyms: N-Methyl Pemetrexed, PEMETREXED DISODIUM HEPTAHYDRATE IMPURITY A [EP IMPURITY], PEMETREXED DISODIUM HEPTAHYDRATE IMPURITY A (EP IMPURITY), PeMetrexed EP IMpurity A, orb1983203, Pemetrexed disodium heptahydrate impurity A [EP]
Isomers (same molecular formula)
(2S)-5-[[amino(nitramido)methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid C21H23N5O6
(2R)-5-[[amino(nitramido)methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid C21H23N5O6
(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-methoxy-5-oxopentanoic acid C21H23N5O6
(4S)-4-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-methoxy-5-oxopentanoic acid C21H23N5O6
(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]-5-methoxy-5-oxopentanoic acid C21H23N5O6
[(2R,3S,5R)-2-(hydroxymethyl)-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl] benzoate C21H23N5O6
[(2R,3S,5R)-3-acetyloxy-5-(2-amino-6-phenylmethoxypurin-9-yl)oxolan-2-yl]methyl acetate C21H23N5O6

Also listed as

Pemetrexed EP Impurity A Chemat Brand CAS 869791-42-4
Pemetrexed Impurity 2（Pemetrexed EP Impurity A） Hubei YoungXin CAS 869791-42-4
N-Methyl Pemetrexed, >95% (HPLC) TRC CAS 869791-42-4
N–Methyl pemetrexed GLPBio CAS 869791-42-4
N-Methyl pemetrexed MedChemExpress CAS 869791-42-4
(S)-2-(4-(2-(2-Amino-1-methyl-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid, 98% BLDpharm CAS 869791-42-4