Danegaptide

Base Information

Chemical Name:Danegaptide
CAS No.:943134-39-2
Molecular Formula:C14H17N3O4
Molecular Weight:291.307
Hs Code.:
UNII:PA0Y7735AT
ChEMBL ID:CHEMBL560592
DSSTox Substance ID:DTXSID201026039
Metabolomics Workbench ID:152916
NCI Thesaurus Code:C83647
Wikidata:Q27286426
Mol file:943134-39-2.mol

Synonyms:danegaptide;ZP1609

Suppliers and Price of Danegaptide

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

DC Chemicals
GAP-134 >98%
10 mg
$ 295.20

DC Chemicals
GAP-134 >98%
50 mg
$ 796.80

Crysdot
GAP-134 98+%
50mg
$ 648.00

Crysdot
GAP-134 98+%
10mg
$ 240.00

Crysdot
GAP-134 98+%
5mg
$ 186.00

Biosynth Carbosynth
(2S,4R)-1-(2-Aminoacetyl)-4-benzamidopyrrolidine-2-carboxylicacid
5 mg
$ 117.00

Biosynth Carbosynth
(2S,4R)-1-(2-Aminoacetyl)-4-benzamidopyrrolidine-2-carboxylicacid
2 mg
$ 59.00

Biosynth Carbosynth
(2S,4R)-1-(2-Aminoacetyl)-4-benzamidopyrrolidine-2-carboxylicacid
25 mg
$ 405.00

Biosynth Carbosynth
(2S,4R)-1-(2-Aminoacetyl)-4-benzamidopyrrolidine-2-carboxylicacid
10 mg
$ 203.00

Biosynth Carbosynth
(2S,4R)-1-(2-Aminoacetyl)-4-benzamidopyrrolidine-2-carboxylicacid
50 mg
$ 704.00

Total 12 raw suppliers

Chemical Property of Danegaptide

Chemical Property:

Boiling Point:642.4±55.0 °C(Predicted)
PKA:2.93±0.40(Predicted)
PSA：116.22000
Density:1.38±0.1 g/cm3(Predicted)
LogP:0.64220
XLogP3:-2.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:291.12190603
Heavy Atom Count:21
Complexity:420

Purity/Quality:

97% ^*data from raw suppliers

GAP-134 >98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C(CN(C1C(=O)O)C(=O)CN)NC(=O)C2=CC=CC=C2
Isomeric SMILES:C1[C@H](CN([C@@H]1C(=O)O)C(=O)CN)NC(=O)C2=CC=CC=C2
Recent ClinicalTrials:Single Ascending Dose of GAP-134 as a 24-hour IV Infusion in Healthy Japanese Males
Recent EU Clinical Trials:A Randomised, Double-Blind, Placebo-Controlled, Parallel-Group Trial to Assess Clinical Efficacy and Safety of Danegaptide in Patients with ST-Elevation Myocardial Infarction undergoing Primary Percutaneous Coronary Intervention

Technology Process of Danegaptide

There total 2 articles about Danegaptide 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:

: 943134-34-7
(2S,4R)-4-benzamido-1-(2-(tert-butoxycarbonylamino)acetyl)pyrrolidine-2-carboxylic acid

: 943134-39-2
(2S,4R)-1-(2-aminoacetyl)-4-benzoylamino-pyrrolidine-2-carboxylic acid

Guidance literature:: (2S,4R)-4-benzamido-1-(2-(tert-butoxycarbonylamino)acetyl)pyrrolidine-2-carboxylic acid; With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In acetonitrile; at 20 ℃; Inert atmosphere; Cooling with ice;

With ammonia; In acetonitrile; at 0 - 20 ℃; for 2.5h;
DOI:10.1016/j.bmcl.2009.07.014

Reference yield:

: 4530-20-5
BOC-glycine

: 65-85-0,8013-63-6
benzoic acid

: 176486-63-8
(2S,4R)-4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-1-(tert-butoxycarbonyl)pyrrolidine-2-carboxylic acid

: 943134-39-2
(2S,4R)-1-(2-aminoacetyl)-4-benzoylamino-pyrrolidine-2-carboxylic acid

Guidance literature:

Reference yield: 31.0%

: 50-00-0,30525-89-4,61233-19-0
formaldehyd

: 943134-39-2
(2S,4R)-1-(2-aminoacetyl)-4-benzoylamino-pyrrolidine-2-carboxylic acid

: (2S,4R) 4-benzamido-1-(2-(dimethylamino)acetyl)pyrrolidine-2-carboxylic acid

Guidance literature:: formaldehyd; (2S,4R)-1-(2-aminoacetyl)-4-benzoylamino-pyrrolidine-2-carboxylic acid; In methanol; at 0 - 20 ℃; for 3h;

With sodium cyanoborohydride; In methanol; at 20 ℃; for 1.08333h;