2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid

Base Information

Chemical Name:2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid
CAS No.:95755-20-7
Molecular Formula:C20H21 F N8 O5
Molecular Weight:472.436
Hs Code.:
DSSTox Substance ID:DTXSID40914819
Nikkaji Number:J532.695H
Pharos Ligand ID:RF34PX26FY79
ChEMBL ID:CHEMBL160505
Mol file:95755-20-7.mol

Synonyms:F-MTX;fluoresceinated methotrexate;FMTX;gamma-fluoromethotrexate;MTX-F;N(alpha)-(4-amino-4-deoxy-N(10)--methylpteroyl-N(epsilon)-4'-fluoresceinthiocarbamoyl)-L-lysine trihydrate;PT 430;PT-430;PT430 cpd

Suppliers and Price of 2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic 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

American Custom Chemicals Corporation
FLUOROMETHOTREXATE 95.00%
5MG
$ 498.28

Total 3 raw suppliers

Chemical Property of 2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid

Chemical Property:

Melting Point:250 °C
Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：210.54000
Density:1.566g/cm³
LogP:1.76970
XLogP3:-1.4
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:472.16189396
Heavy Atom Count:34
Complexity:740

Purity/Quality:: FLUOROMETHOTREXATE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN(CC1=CN=C2C(=N1)C(=NC(=N2)N)N)C3=CC=C(C=C3)C(=O)NC(CC(C(=O)O)F)C(=O)O

Technology Process of 2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic acid

There total 8 articles about 2-[[4-[(2,4-Diaminopteridin-6-yl)methyl-methylamino]benzoyl]amino]-4-fluoropentanedioic 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: 84.0%

: 95772-55-7
2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-methyl-amino]-benzoylamino}-4-fluoro-pentanedioic acid diisopropyl ester

: 95755-20-7
N-<4-<<(2,4-diamino-6-pteridinyl)methyl>methylamino>benzoyl>-4-fluoro-glutamic acid

Guidance literature:: With sodium hydroxide; In ethanol; water;

Reference yield:

: 59368-16-0
6-bromomethyl-pteridine-2,4-diamine

: 95755-20-7
N-<4-<<(2,4-diamino-6-pteridinyl)methyl>methylamino>benzoyl>-4-fluoro-glutamic acid

Guidance literature:: Multi-step reaction with 2 steps

1: N,N-dimethyl-acetamide

2: 84 percent / NaOH / H₂O; ethanol

With sodium hydroxide; In ethanol; N,N-dimethyl acetamide; water;

Reference yield:

: 2708-77-2,149117-03-3,91383-48-1,91383-47-0
D,L-erythro,threo-4-fluoroglutamic acid

: 95755-20-7
N-<4-<<(2,4-diamino-6-pteridinyl)methyl>methylamino>benzoyl>-4-fluoro-glutamic acid

Guidance literature:: Multi-step reaction with 5 steps

1: SOCl₂

2: triethylamine / 1,2-dimethoxy-ethane

3: HBr, acetic acid

4: N,N-dimethyl-acetamide

5: 84 percent / NaOH / H₂O; ethanol

With sodium hydroxide; thionyl chloride; hydrogen bromide; acetic acid; triethylamine; In 1,2-dimethoxyethane; ethanol; N,N-dimethyl acetamide; water;