2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoy l]amino]butyl]carbamoyl]benzoic acid

Base Information

• Chemical Name: 2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoy l]amino]butyl]carbamoyl]benzoic acid
• CAS No.: 113857-87-7
• Molecular Formula: C27H27 N9 O6
• Molecular Weight: 573.568
• Mol file: 113857-87-7.mol

Synonyms:Benzoicacid, 2-[[[4-carboxy-4-[[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]amino]butyl]amino]carbonyl]-,(S)-; Anantifol; NSC 623017; PT 523; Talotrexin

Chemical Property of 2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoy l]amino]butyl]carbamoyl]benzoic acid

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 248.43000
• Density: 1.51g/cm³
• LogP: 3.30490

Purity/Quality:

95% ^*data from raw suppliers

2-[[[(4S)-4-CARBOXY-4-[[4-[[(2,4-DIAMINO-6-PTERIDINYL)METHYL]AMINO]BENZOYL]AMINO]BUTYL]AMINO]CARBONYLBENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoy l]amino]butyl]carbamoyl]benzoic acid

There total 8 articles about 2-[[(4S)-4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoy l]amino]butyl]carbamoyl]benzoic 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: 29.0%

Nα-(4-amino-4-deoxy-N10-formylpteroyl)-Nδ-hemiphthaloyl-L-ornithine (113857-93-5) → Nα-(4-amino-4-deoxypteroyl)-Nδ-hemiphthaloyl-L-ornithine (113857-87-7)

Guidance literature:

With sodium hydroxide; at 25 ℃; for 216h;

DOI:10.1021/jm00402a013

Reference yield: 26.0%

Nα-(4-amino-4-deoxy-N10-formylpteroyl)-Nδ-phthaloyl-L-ornithine (113857-97-9) → Nα-(4-amino-4-deoxypteroyl)-Nδ-hemiphthaloyl-L-ornithine (113857-87-7)

Guidance literature:

With sodium hydroxide; at 25 ℃; for 6.5h;

DOI:10.1021/jm00402a013

Reference yield:

(S)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-5-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid methyl ester (1053629-25-6) → (S)-2-[[[4-carboxy-4-[[4-[[(2,4-diamino-6-pteridinyl)methyl]amino]benzoyl]amino]butyl]amino]carbonyl]benzoic acid (113857-87-7)

Guidance literature:

With sodium hydroxide; In dimethyl sulfoxide; at 20 ℃; for 0.0666667h; Yield given;

DOI:10.1021/jm00040a008

upstream raw materials:

(S)-2-{4-[(2,4-Diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-5-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-pentanoic acid methyl ester

N^α-(4-amino-4-deoxypteroyl)-N^δ-hemiphthaloyl-L-ornithinyl-L-phenylalanine

N^α-(4-amino-4-deoxy-N¹⁰-formylpteroyl)-N^δ-phthaloyl-L-ornithine

N^α-(4-amino-4-deoxy-N¹⁰-formylpteroyl)-N^δ-hemiphthaloyl-L-ornithine

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