2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid

Base Information

Chemical Name:2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid
CAS No.:27244-49-1
Molecular Formula:C22H24 N6 O5
Molecular Weight:452.4632
Hs Code.:
NSC Number:110182
Pharos Ligand ID:QQC8S4C7NZK1
ChEMBL ID:CHEMBL304397

Synonyms:CHEMBL304397;NSC110182;SCHEMBL15056952;BDBM50026274;NSC-110182;Glutamic acid,4-diamino-6-quinazolinyl)methyl]methyl-amino]benzoyl]-, L-;L-Glutamic acid,4-diamino-6-quinazolinyl)methyl]methylamino]benzoyl]-;2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid;27244-49-1

Suppliers and Price of 2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 3 raw suppliers

Chemical Property of 2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid

Chemical Property:

Density:1.463g/cm³
XLogP3:1.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:9
Exact Mass:452.18081789
Heavy Atom Count:33
Complexity:701

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(CC1=CC2=C(C=C1)N=C(N=C2N)N)C3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Technology Process of 2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid

There total 6 articles about 2-{4-[(2,4-Diamino-quinazolin-6-ylmethyl)-methyl-amino]-benzoylamino}-pentanedioic acid which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 18921-68-1
5,8-dideazaaminopterin

: 27244-49-1
5,8-dideazamethopterin

Guidance literature:: With hydrogenchloride; sodium cyanoborohydride;
DOI:10.1021/jm00380a011

Reference yield:

: 16874-06-9
di-tert-butyl L-glutamate

: 27244-49-1
5,8-dideazamethopterin

Guidance literature:: Multi-step reaction with 5 steps

1: 86 percent / triethylamine / 1,2-dichloro-ethane / 5 h

2: 94 percent / H₂ / 10percent Pd/C / ethanol / 24 h

3: H₂, 70percent aq. acetic acid / Raney Ni

4: trifluoroacatic acid / 1 h

5: 87 percent / NaB(CN)H₃, aq. HCl

With hydrogenchloride; hydrogen; sodium cyanoborohydride; acetic acid; triethylamine; trifluoroacetic acid; palladium on activated charcoal; nickel; In ethanol; 1,2-dichloro-ethane;
DOI:10.1021/jm00380a011

Reference yield:

: 88050-23-1
di-tert-butyl (S)-N-(p-nitrobenzoyl)-glutamate

: 27244-49-1
5,8-dideazamethopterin

Guidance literature:: Multi-step reaction with 4 steps

1: 94 percent / H₂ / 10percent Pd/C / ethanol / 24 h

2: H₂, 70percent aq. acetic acid / Raney Ni

3: trifluoroacatic acid / 1 h

4: 87 percent / NaB(CN)H₃, aq. HCl

With hydrogenchloride; hydrogen; sodium cyanoborohydride; acetic acid; trifluoroacetic acid; palladium on activated charcoal; nickel; In ethanol;
DOI:10.1021/jm00380a011