11-(3-Carbamimidamidopropyl)-14-ethyl-4,7,10,16-tetrahydroxy-12-methyl-13-oxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),3,6,9,15,17,19-heptaene-5-carboxylic acid--methanesulfonic acid (1/1)

Base Information

Chemical Name:11-(3-Carbamimidamidopropyl)-14-ethyl-4,7,10,16-tetrahydroxy-12-methyl-13-oxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),3,6,9,15,17,19-heptaene-5-carboxylic acid--methanesulfonic acid (1/1)
CAS No.:155158-97-7
Molecular Formula:C25H38N8O10S
Molecular Weight:656.714
Hs Code.:
DSSTox Substance ID:DTXSID30935154
Mol file:155158-97-7.mol

11-(3-Carbamimidamidopropyl)-14-ethyl-4,7,10,16-tetrahydroxy-12-methyl-13-oxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),3,6,9,15,17,19-heptaene-5-carboxylic acid--methanesulfonic acid (1/1)

Synonyms:DTXSID30935154;11-(3-Carbamimidamidopropyl)-14-ethyl-4,7,10,16-tetrahydroxy-12-methyl-13-oxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),3,6,9,15,17,19-heptaene-5-carboxylic acid--methanesulfonic acid (1/1)

Suppliers and Price of 11-(3-Carbamimidamidopropyl)-14-ethyl-4,7,10,16-tetrahydroxy-12-methyl-13-oxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),3,6,9,15,17,19-heptaene-5-carboxylic acid--methanesulfonic acid (1/1)

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
DMP 728 95.00%
5MG
$ 459.44

Total 5 raw suppliers

Chemical Property of 11-(3-Carbamimidamidopropyl)-14-ethyl-4,7,10,16-tetrahydroxy-12-methyl-13-oxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),3,6,9,15,17,19-heptaene-5-carboxylic acid--methanesulfonic acid (1/1)

Chemical Property:

Boiling Point:°Cat760mmHg
Flash Point:°C
PSA：312.62000
Density:g/cm³
LogP:0.15240
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:642.24316061
Heavy Atom Count:44
Complexity:1060

Purity/Quality:

99% ^*data from raw suppliers

DMP 728 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC1C(=O)N(C(C(=O)NCC(=O)NC(C(=O)NCC2=CC(=CC=C2)C(=O)N1)C(=O)O)CCCN=C(N)N)C.CS(=O)(=O)O
Isomeric SMILES:CC[C@@H]1C(=O)N([C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC2=CC(=CC=C2)C(=O)N1)C(=O)O)CCCN=C(N)N)C.CS(=O)(=O)O

Technology Process of 11-(3-Carbamimidamidopropyl)-14-ethyl-4,7,10,16-tetrahydroxy-12-methyl-13-oxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),3,6,9,15,17,19-heptaene-5-carboxylic acid--methanesulfonic acid (1/1)

There total 23 articles about 11-(3-Carbamimidamidopropyl)-14-ethyl-4,7,10,16-tetrahydroxy-12-methyl-13-oxo-3,6,9,12,15-pentaazabicyclo[15.3.1]henicosa-1(21),3,6,9,15,17,19-heptaene-5-carboxylic acid--methanesulfonic acid (1/1) 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: 99.0%

: 75-75-2,98527-29-8
methanesulfonic acid

: 153345-74-5
cyclo(D-Abu-N-MeArg-Gly-Asp-Mamb)

: 155158-97-7
DMP 728

Guidance literature:: In water; isopropyl alcohol; 1) reflux --> 1 deg C, 29 min; 2) 1 deg C, 1 h;
DOI:10.1021/jo9603284

Reference yield:

: Nα-t-BOC-N-α-methyl-Nω-tosyl-L-arginine

: 155158-97-7
DMP 728

Guidance literature:: Multi-step reaction with 8 steps

1: 1.) HBTU, diisopropylethylamine, 2.) trifluoroacetic acid / 1) ethyl acetate, rt, 6 h; 2) <40 deg C, 6 h

2: HBTU, diisopropylethylamine / acetonitrile / Ambient temperature

3: aq. HCl / dioxane / 12 h / <40 deg C

4: HBTU, diisopropylethylamine / acetonitrile / 16 h / 25 °C

5: H₂ / Pd/C / methanol; H₂O / 2 h

6: diisopropylethylamine, HBTU / acetonitrile / 5.5 h

7: 1.) trifluoroacetic acid, 2.) triflic acid / 1) 0-5 deg C, 20 min; 2) anisole, -14- -8 deg C, 1 h

8: 99 percent / propan-2-ol; H₂O / 1) reflux --> 1 deg C, 29 min; 2) 1 deg C, 1 h

With hydrogenchloride; trifluorormethanesulfonic acid; hydrogen; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In 1,4-dioxane; methanol; water; isopropyl alcohol; acetonitrile;
DOI:10.1021/jo9603284

Reference yield:

: 144838-92-6
N-Me-Arg(Tos)-Gly-OBzl

: 155158-97-7
DMP 728

Guidance literature:: Multi-step reaction with 7 steps

1: HBTU, diisopropylethylamine / acetonitrile / Ambient temperature

2: aq. HCl / dioxane / 12 h / <40 deg C

3: HBTU, diisopropylethylamine / acetonitrile / 16 h / 25 °C

4: H₂ / Pd/C / methanol; H₂O / 2 h

5: diisopropylethylamine, HBTU / acetonitrile / 5.5 h

6: 1.) trifluoroacetic acid, 2.) triflic acid / 1) 0-5 deg C, 20 min; 2) anisole, -14- -8 deg C, 1 h

7: 99 percent / propan-2-ol; H₂O / 1) reflux --> 1 deg C, 29 min; 2) 1 deg C, 1 h

With hydrogenchloride; trifluorormethanesulfonic acid; hydrogen; O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; trifluoroacetic acid; palladium on activated charcoal; In 1,4-dioxane; methanol; water; isopropyl alcohol; acetonitrile;
DOI:10.1021/jo9603284