(3S)-3-amino-N-[(5R)-2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-N-methylhexanamide

Base Information

Chemical Name:(3S)-3-amino-N-[(5R)-2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-N-methylhexanamide
CAS No.:128126-45-4
Molecular Formula:C₁₃H₂₅N₉O₃
Molecular Weight:355.4
Hs Code.:
DSSTox Substance ID:DTXSID30155815
Nikkaji Number:J552.031B
Wikipedia:TAN-1057_A
Wikidata:Q7669302
Metabolomics Workbench ID:104783
Mol file:128126-45-4.mol

Synonyms:Hexanamide, 3-amino-N-(2-((aminocarbonyl)amino)-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl)-6-((aminoiminomethyl)amino)-N-methyl-, (R-(R*,S*))-;TAN 1057B;TAN-1057B

Suppliers and Price of (3S)-3-amino-N-[(5R)-2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-N-methylhexanamide

Supply Marketing:

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

Manufacturers and distributors:

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Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of (3S)-3-amino-N-[(5R)-2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-N-methylhexanamide

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
Density:1.6g/cm³
XLogP3:-4.2
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:355.20803569
Heavy Atom Count:25
Complexity:571

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CN(C1CN=C(NC1=O)NC(=O)N)C(=O)CC(CCCN=C(N)N)N
Isomeric SMILES:CN([C@@H]1CN=C(NC1=O)NC(=O)N)C(=O)C[C@H](CCCN=C(N)N)N

Technology Process of (3S)-3-amino-N-[(5R)-2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-N-methylhexanamide

There total 15 articles about (3S)-3-amino-N-[(5R)-2-(carbamoylamino)-6-oxo-4,5-dihydro-1H-pyrimidin-5-yl]-6-(diaminomethylideneamino)-N-methylhexanamide 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: 100.0%

: 198416-15-8
C₄₅H₄₉N₉O₁₁

: 469905-96-2,128126-44-3,128126-45-4
TAN1057

Guidance literature:: With hydrogen; palladium dichloride; In methanol; dichloromethane; for 0.5h;
DOI:10.1021/ja972670j

Reference yield: 100.0%

: 128126-44-3,128126-45-4
R-3-amino-6-[(aminoiminomethyl)amino]-N-[2-[(aminocarbonyl)amino]-1,4,5,6-tetrahydro-4-oxo-5-pyrimidinyl)-N-methyl-hexanamide

Guidance literature:

Reference yield:

: 14611-34-8
N^α,N^δ,N^ω-tris(benzyloxycarbonyl)-L-arginine

: 469905-96-2,128126-44-3,128126-45-4
TAN1057

Guidance literature:: Multi-step reaction with 4 steps

1: triethylamine / CH₂Cl₂ / 0.25 h / -20 °C

2: CH₂Cl₂; diethyl ether / 22 h / 0 - 5 °C

3: 30 percent / dimethylamine / 3 h / 20 °C / Irradiation

4: H₂ / PdCl₂ / methanol / 2 h

With hydrogen; triethylamine; palladium dichloride; In methanol; diethyl ether; dichloromethane; dimethyl amine;
DOI:10.1002/(SICI)1099-0690(199805)1998:5<777::AID-EJOC777>3.0.CO;2-W