Wpe-III-31C

Base Information

Chemical Name:Wpe-III-31C
CAS No.:398515-96-3
Molecular Formula:C35H52N4O7
Molecular Weight:640.81
Hs Code.:
DSSTox Substance ID:DTXSID40432129
Nikkaji Number:J1.755.288K
Wikidata:Q82246191
ChEMBL ID:CHEMBL369416
Mol file:398515-96-3.mol

Synonyms:WPE-III-31C;398515-96-3;III-31-C;CHEMBL369416;SCHEMBL7714856;DTXSID40432129;BDBM50143457;NCGC00485838-01;(R)-methyl 2-((R)-2-(3-benzyl-3-((2S,3R)-3-(tert-butoxycarbonyl)-2-hydroxy-4-phenylbutyl)ureido)-4-methylpentanamido)-3-methylbutanoate;(S)-methyl 2-((S)-2-(3-benzyl-3-((2R,3S)-3-(tert-butoxycarbonyl)-2-hydroxy-4-phenylbutyl)ureido)-4-methylpentanamido)-3-methylbutanoate;methyl (2S)-2-[[(2S)-2-[[benzyl-[(2R,3S)-2-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutyl]carbamoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate

Suppliers and Price of Wpe-III-31C

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

Sigma-Aldrich
III-31-C ≥98% (HPLC), solid
5mg
$ 448.00

Sigma-Aldrich
III-31-C ≥98% (HPLC), solid
1mg
$ 117.00

Total 1 raw suppliers

Chemical Property of Wpe-III-31C

Chemical Property:

Boiling Point:832.6±65.0 °C(Predicted)
PKA:12.04±0.46(Predicted)
PSA：156.77000
Density:1.135±0.06 g/cm3(Predicted)
LogP:5.67270
Storage Temp.:?20°C
Solubility.:DMSO: ≥9mg/mL
XLogP3:5.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:18
Exact Mass:640.38360001
Heavy Atom Count:46
Complexity:955

Purity/Quality:

97% ^*data from raw suppliers

III-31-C ≥98% (HPLC), solid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CC(C(=O)NC(C(C)C)C(=O)OC)NC(=O)N(CC1=CC=CC=C1)CC(C(CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O
Isomeric SMILES:CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)N(CC1=CC=CC=C1)C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)OC(C)(C)C)O

Technology Process of Wpe-III-31C

There total 8 articles about Wpe-III-31C 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:

: 98760-08-8,98818-34-9,98818-35-0,103127-56-6,98737-29-2
(1-oxiranyl-2-phenylethyl)carbamic acid tert-butyl ester

: 398515-96-3
((6S,7R,12S,15S)-methyl 6,9-dibenzyl-7-hydroxy-12-isobutyl-15-isopropyl-2,2-dimethyl-4,10,13-trioxo-3-oxa-5,9,11,14-tetraazahexadecan-16-oate)

Guidance literature:: Multi-step reaction with 4 steps

1: propan-2-ol

2: 20 °C

3: LiOH

4: HATU; DIEA

With lithium hydroxide; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate; In isopropyl alcohol;
DOI:10.1124/mol.106.024299

Reference yield:

: 162536-41-6
(2R,3S)-1-(benzylamino)-3-[N-(tert-butyloxycarbonyl)amino]-4-phenylbutan-2-ol

: 398515-96-3
((6S,7R,12S,15S)-methyl 6,9-dibenzyl-7-hydroxy-12-isobutyl-15-isopropyl-2,2-dimethyl-4,10,13-trioxo-3-oxa-5,9,11,14-tetraazahexadecan-16-oate)

Guidance literature:: Multi-step reaction with 3 steps

1: 20 °C

2: LiOH

3: HATU; DIEA

With lithium hydroxide; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate;
DOI:10.1124/mol.106.024299

Reference yield:

: 701981-91-1
methyl (benzyl((2R,3S)-3-((tert-butoxycarbonyl)amino)-2-hydroxy-4-phenylbutyl)carbamoyl)-L-leucinate

: 398515-96-3
((6S,7R,12S,15S)-methyl 6,9-dibenzyl-7-hydroxy-12-isobutyl-15-isopropyl-2,2-dimethyl-4,10,13-trioxo-3-oxa-5,9,11,14-tetraazahexadecan-16-oate)

Guidance literature:: Multi-step reaction with 2 steps

1: LiOH

2: HATU; DIEA

With lithium hydroxide; N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate;
DOI:10.1124/mol.106.024299