L-Glutamic acid, N-[4-[[N-(2, 4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, bis[(2, 6-dichlorophenyl)methyl] ester

Modify Date: 2026-07-14 12:16:24

L-Glutamic acid, N-[4-[[N-(2, 4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, bis[(2, 6-dichlorophenyl)methyl] ester structure	Common Name	L-Glutamic acid, N-[4-[[N-(2, 4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-, bis[(2, 6-dichlorophenyl)methyl] ester
	CAS Number	86669-36-5	Molecular Weight	772.46500
	Density	1.498g/cm3	Boiling Point	N/A
	Molecular Formula	C₃₄H₃₀Cl₄N₈O₅	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	bis[(2,6-dichlorophenyl)methyl] 2-[[4-[(2,4-diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]pentanedioate
Synonym	More Synonyms

Density	1.498g/cm3
Molecular Formula	C₃₄H₃₀Cl₄N₈O₅
Molecular Weight	772.46500
Exact Mass	770.10900
PSA	188.54000
LogP	7.75290
Index of Refraction	1.69
InChIKey	OMFGEIYTGJZTEH-UHFFFAOYSA-N
SMILES	CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)NC(CCC(=O)OCc2c(Cl)cccc2Cl)C(=O)OCc2c(Cl)cccc2Cl)cc1

Methotrexate di...

CAS#:7413-34-5

2,6-Dichloroben...

CAS#:20443-98-5

~62%

L-Glutamic acid...

CAS#:86669-36-5

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Literature: Rosowsky, A.; Yu, C.-S. Journal of Medicinal Chemistry, 1983 , vol. 26, # 10 p. 1448 - 1452

Precursor 2
CAS#:7413-34-5 Methotrexate di... CAS#:20443-98-5 2,6-Dichloroben...
DownStream 0

Name: In vivo antitumor activity against L1210 leukemia in 5 mice measured as median surviv...
Source: ChEMBL
Target: L1210
External Id: CHEMBL701880

Name: Average weight of the mouse after treating with 20 mg/kg dose for 1 day.
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL715624

Name: In vivo antitumor activity against L1210 leukemia in 15 mice measured as T/C values; ...
Source: ChEMBL
Target: L1210
External Id: CHEMBL703113

Name: Average weight of the mouse after treating with 10 mg/kg dose for 7 days.
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL729284

Name: In vivo antitumor activity against L1210 leukemia in 5 mice measured as Increased lif...
Source: ChEMBL
Target: L1210
External Id: CHEMBL703700

Name: In vivo antitumor activity against L1210 leukemia in 24 mice measured as T/C value; T...
Source: ChEMBL
Target: L1210
External Id: CHEMBL703128

Name: Average weight of the mouse after treating with 10 mg/kg dose for 1 day.
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL713055

Name: In vivo antitumor activity against L1210 leukemia in 5 mice measured as Increased lif...
Source: ChEMBL
Target: L1210
External Id: CHEMBL703702

Name: Average weight of the mouse after treating with 20 mg/kg dose for 7 days.
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL729290

Name: In vivo antitumor activity against L1210 leukemia in 5 mice measured as median surviv...
Source: ChEMBL
Target: L1210
External Id: CHEMBL700163

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bis(2,6-dichlorobenzyl) methotrexate

L-Glutamic acid,4-diamino-6-pteridinyl)methyl]methylamino]benzoyl]-,bis[(2,6-dichlorophenyl)methyl] ester

Names