AG00131R

137281-23-3 | N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamicacid

AG00131R

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	137281-23-3
Catalog Number	AG00131R(AGN-PC-0PLBL7)
Chemical Name	N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamicacid
IUPAC Name	(2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid
InChI	InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m0/s1
InChI Key	WBXPDJSOTKVWSJ-ZDUSSCGKSA-N
MDL Number	MFCD00902635
Molecular Formula	C20H21N5O6
Molecular Weight	427.4106
NSC Number	698037
SMILES	O=C(O)[C@@H](NC(C1=CC=C(CCC2=CNC(N=C(N)N3)=C2C3=O)C=C1)=O)CCC(O)=O
UNII	04Q9AIZ7NO
Synonyms	231,514, LY, 231514, LY, ALIMTA, Disodium, Pemetrexed, LY 231,514, LY 231514, LY-231,514, LY-231514, LY231514, MTA, N-(4-(2-(2-amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid, pemetrexed, pemetrexed disodium, Pemetrexed, 137281-23-3, Alimta, UNII-04Q9AIZ7NO, Pemetrexed acid, CHEBI:63616, (S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid, 04Q9AIZ7NO, LY-231514, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid, LY-2315, LY231514, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid, Pemetrexed [INN:BAN], Alimta (TN), (S)-2-(4-(2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid, 2-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-PENTANEDIOIC ACID, J-502393, HSDB 7316, C20H21N5O6, (S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic, LYA, N-[4-[2(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid, N-{4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl}-L-glutamic acid, Premetred disodium, N-(4-(2-(2-Amino-3,4-dihydro-4-oxo-7H-pyrrolo(2,3-d)pyrimdin-5-yl)ethyl)benzoyl)glutamic acid, 1juj, Pemetrexed (TN), AK-72902, L-Glutamic acid, N-(4-(2-(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo(2,3-d)pyrimidin-5-yl)ethyl)benzoyl)-, N-(4-[2-(2-amino-4,7-Dihydro-4-Oxo-1H-Pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl)-L-Glutamic Acid, Pemetrexed (INN), Alimta (TN) (Lilly), AC1L9JT6, SCHEMBL7968, US9422297, Pemetrexed, CHEMBL225072, DTXSID2048329, Premetrexed [Common mis-spelling], WBXPDJSOTKVWSJ-ZDUSSCGKSA-N, KS-00000GW0, ZINC1540998, BDBM50027656, CP0119, NSC698037, AKOS015896253, AC-1701, CS-1297, DB00642, NSC-698037, RP17940, NCGC00167517-01, NCGC00242485-01, AJ-26845, AS-30680, BC215781, BR-72902, HY-10820, SC-25136, DB-024764, FT-0659328, P2288, A12668, D07472, S-4927, 41413-EP2270012A1, 41413-EP2270013A1, 41413-EP2305681A1, 41413-EP2311838A1, 41421-EP2270012A1, 41421-EP2270013A1, 41421-EP2305681A1, 41421-EP2311838A1, 89077-EP2270012A1, 89077-EP2270013A1, 89077-EP2305681A1, AB01273937-01, 281P233, I06-2128, L-Glutamic acid,3-d]pyrimidin-5-yl]ethyl]benzoyl]-, (2S)-2-[[4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioic acid, (S)-2-(4-(2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo-[2,3-d]pyrimidin-5-yl)ethyl)benzamido)pentanedioic acid, 4DW, N-({4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-glutamic acid, N-[4-[2(2-amino-4,7-dihydro-4-oxo-1H-pyrrolo [2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic acid, N-[4-[2-(2-amino-3,4-dihydro-4-oxo-7h-pyrrolo[2,3-d]pyrimi-din-5-yl)ethyl]benzoyl]l-glutamic acid, N-[4-[2-[2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]ethyl]benzoyl]glutamic acid, Pemetrexed disodium, Pemetrexed Sodium, Disodium, Pemetrexed, Pemetrexed sodium hydrate, pemetrexed diacid monohydrate, Pemetrexed disodium heptahydrate, LY-231514 Disodium Hydrate, LY 231514, CID446556, C20-H21-N5-O6, ACN-034387, CS-O-10287, LY 231,514, 2032A, 231514, LY, LY-231,514, 231,514, LY, D000068437, N-[4-[2-(2-amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]L-glutamic acid, (2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid, 165049-28-5, MTA, N-{4-[2-(2-Amino-4-Oxo-4,7-Dihydro-3h-Pyrrolo[2,3-D]pyrimidin-5-Yl)ethyl]benzoyl}-L-Glutamic Acid,

Complexity	748
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	427.149g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	6
Isotope Atom Count	0
Molecular Weight	427.417g/mol
Monoisotopic Mass	427.149g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	187A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number