N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 1,5-Diethyl Ester 4-Methylbenzenesulfonate

Product Code

TRC-A605005

CAS Number

165049-28-5

Product Format

Neat

Molecular Formula

C24 H29 N5 O6 . C7 H8 O3 S

Molecular Weight

655.72

Product Categories

TRC, Anticancerous, Anticancerous, Additional Cancer Bioactive Molecules, Anticancerous

Price and availability

48-hour USA dispatch time

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Product Information

Chemical Data

Analyte Name

N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 1,5-Diethyl Ester 4-Methylbenzenesulfonate

CAS Number

165049-28-5

Molecular Formula

C24 H29 N5 O6 . C7 H8 O3 S

Molecular Weight

655.72

Accurate Mass

655.2312

SMILES

CCOC(=O)CC[C@H](NC(=O)c1ccc(CCc2c[nH]c3N=C(N)NC(=O)c23)cc1)C(=O)OCC.Cc4ccc(cc4)S(=O)(=O)O

InChI

InChI=1S/C24H29N5O6.C7H8O3S/c1-3-34-18(30)12-11-17(23(33)35-4-2)27-21(31)15-8-5-14(6-9-15)7-10-16-13-26-20-19(16)22(32)29-24(25)28-20;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,8-9,13,17H,3-4,7,10-12H2,1-2H3,(H,27,31)(H4,25,26,28,29,32);2-5H,1H3,(H,8,9,10)/t17-;/m0./s1

IUPAC

diethyl (2S)-2-[[4-[2-(2-amino-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]amino]pentanedioate;4-methylbenzenesulfonic acid

Product Data

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

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N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 1,5-Diethyl Ester 4-Methylbenzenesulfonate

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N-[4-[2-(2-Amino-4,7-dihydro-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl]-L-glutamic Acid 1,5-Diethyl Ester 4-Methylbenzenesulfonate

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