Zaurategrast

Base Information

Chemical Name:Zaurategrast
CAS No.:455264-31-0
Molecular Formula:C26H25BrN4O3
Molecular Weight:521.413
Hs Code.:
European Community (EC) Number:630-608-7
UNII:06A0IC74I3
DSSTox Substance ID:DTXSID90196547
Wikipedia:Zaurategrast
Wikidata:Q166806
NCI Thesaurus Code:C90673
ChEMBL ID:CHEMBL4303708
Mol file:455264-31-0.mol

Synonyms:CT7758

Suppliers and Price of Zaurategrast

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

Matrix Scientific
(S)-3-(4-((2,7-Naphthyridin-1-yl)amino)phenyl)-2-((2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino)propanoic acid 95+%
1g
$ 4200.00

Matrix Scientific
(S)-3-(4-((2,7-Naphthyridin-1-yl)amino)phenyl)-2-((2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino)propanoic acid 95+%
250mg
$ 1890.00

DC Chemicals
Zaurategrast >98%
100 mg
$ 1750.00

DC Chemicals
Zaurategrast >98%
1 g
$ 7000.00

DC Chemicals
Zaurategrast >98%
250 mg
$ 3500.00

Crysdot
Zaurategrast 98+%
25mg
$ 413.00

ChemScene
Zaurategrast 98.03%
25mg
$ 708.00

ChemScene
Zaurategrast 98.03%
10mg
$ 360.00

ChemScene
Zaurategrast 98.03%
5mg
$ 204.00

Biosynth Carbosynth
N-(2-Bromo-3-oxospiro[3.5]non-1-en-1-yl)-4-(2,7-naphthyridin-1-ylamino)-L-phenylalanine
25 mg
$ 405.00

Total 14 raw suppliers

Chemical Property of Zaurategrast

Chemical Property:

Boiling Point:714.2±60.0 °C(Predicted)
PKA:3.96±0.10(Predicted)
PSA：104.21000
Density:1.53
LogP:5.56230
XLogP3:5.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:520.11100
Heavy Atom Count:34
Complexity:804

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-(4-((2,7-Naphthyridin-1-yl)amino)phenyl)-2-((2-bromo-3-oxospiro[3.5]non-1-en-1-yl)amino)propanoic acid 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC2(CC1)C(=C(C2=O)Br)NC(CC3=CC=C(C=C3)NC4=NC=CC5=C4C=NC=C5)C(=O)O
Isomeric SMILES:C1CCC2(CC1)C(=C(C2=O)Br)N[C@@H](CC3=CC=C(C=C3)NC4=NC=CC5=C4C=NC=C5)C(=O)O

Technology Process of Zaurategrast

There total 4 articles about Zaurategrast 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: 64.0%

: 455264-30-9
zaurategrast ethyl

: 455264-31-0
zaurategrast

Guidance literature:: With lithium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 2h;

Reference yield: 64.0%

: 455264-31-0
zaurategrast

Guidance literature:

Reference yield:

: 67-56-1
methanol

: 455264-30-9
zaurategrast ethyl

: 455264-31-0
zaurategrast

: C₂₇H₂₇BrN₄O₃

Guidance literature:: With human liver microsomes; In aq. phosphate buffer; at 37 ℃; for 0.166667h; pH=7.4; Enzymatic reaction;
DOI:10.1124/dmd.113.054049