(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioic acid

Base Information

Chemical Name:(2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioic acid
CAS No.:156579-02-1
Molecular Formula:C22H24 N8 O5 S
Molecular Weight:512.549
Hs Code.:
UNII:NEW3SXG55F
Nikkaji Number:J808.503J

Synonyms:MX 68;MX-68;N-(1-((2,4-diamino-6-pteridinyl)methyl)-3,4-dihydro -2H-1,4-benzothiazine-7-carbonyl)-L-2-aminoadipic acid

Suppliers and Price of (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioic acid

Supply Marketing:

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

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Chemical Property of (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioic acid

Chemical Property:

XLogP3:0.2
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:9
Exact Mass:512.15903707
Heavy Atom Count:36
Complexity:808

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CSC2=C(N1CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C=CC(=C2)C(=O)NC(CCCC(=O)O)C(=O)O
Isomeric SMILES:C1CSC2=C(N1CC3=CN=C4C(=N3)C(=NC(=N4)N)N)C=CC(=C2)C(=O)N[C@@H](CCCC(=O)O)C(=O)O

Technology Process of (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioic acid

There total 1 articles about (2S)-2-[[4-[(2,4-diaminopteridin-6-yl)methyl]-2,3-dihydro-1,4-benzothiazine-7-carbonyl]amino]hexanedioic 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:

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

: 156579-02-1
N-[[4-[(2,4-diaminopteridine-6-yl)methyl]-3,4-dihydro-2H-1,4-benzothiazin-7-yl]carbonyl]-L-homoglutamic acid

Guidance literature:: Multi-step reaction with 2 steps

1: dimethylformamide / 72 h / 70 °C

2: 1N aq. NaOH / ethanol / Ambient temperature

With sodium hydroxide; In ethanol; N,N-dimethyl-formamide;
DOI:10.1002/(SICI)1099-1344(199705)39:5<363::AID-JLCR982>3.0.CO;2-O