3,9-Bis((ethylthio)methyl)-K-252a

Base Information

Chemical Name:3,9-Bis((ethylthio)methyl)-K-252a
CAS No.:156177-65-0
Deprecated CAS:170587-65-2
Molecular Formula:C₃₃H₃₃N₃O₅S₂
Molecular Weight:615.774
Hs Code.:2922500090
UNII:200HA2LIMK
Wikidata:Q27075851
Pharos Ligand ID:WT955BQQPHVU
ChEMBL ID:CHEMBL290352
Mol file:156177-65-0.mol

Synonyms:3,9-bis((ethylthio)methyl)-K-252a;3,9-bis(EtSM)-K-252a;CEP 1347;CEP-1347;CEP1347;KT 7515;KT-7515;KT7515

Suppliers and Price of 3,9-Bis((ethylthio)methyl)-K-252a

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

Usbiological
CEP 1347
1mg
$ 603.00

TRC
CEP1347
0.5mg
$ 450.00

Tocris
CEP1347 ≥97%(HPLC)
1
$ 288.00

ApexBio Technology
CEP1347
1mg
$ 417.00

American Custom Chemicals Corporation
CEP-1347 95.00%
5MG
$ 495.73

Total 28 raw suppliers

Chemical Property of 3,9-Bis((ethylthio)methyl)-K-252a

Chemical Property:

Refractive Index:1.756
Boiling Point:786.8±60.0 °C(Predicted)
PKA:11.94±0.40(Predicted)
PSA：145.32000
Density:1.51g/cm³
LogP:6.49010
Solubility.:<6.16mg/ml in DMSO
XLogP3:4.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:615.18616351
Heavy Atom Count:43
Complexity:1150

Purity/Quality:: CEP 1347 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCSCC1=CC2=C(C=C1)N3C4CC(C(O4)(N5C6=C(C=C(C=C6)CSCC)C7=C8CNC(=O)C8=C2C3=C75)C)(C(=O)OC)O
Isomeric SMILES:CCSCC1=CC2=C(C=C1)N3[C@H]4C[C@@]([C@](O4)(N5C6=C(C=C(C=C6)CSCC)C7=C8CNC(=O)C8=C2C3=C75)C)(C(=O)OC)O
Recent ClinicalTrials:Safety and Efficacy Study of CEP-1347 in the Treatment of Parkinson's Disease

Technology Process of 3,9-Bis((ethylthio)methyl)-K-252a

There total 5 articles about 3,9-Bis((ethylthio)methyl)-K-252a 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:

: 99533-80-9,97161-97-2
K-252a

: 156177-65-0
CEP-1347

Guidance literature:: Multi-step reaction with 5 steps

1: 93 percent / DMAP / tetrahydrofuran / Ambient temperature

2: 66 percent / TiCl₄ / CH₂Cl₂ / 2 h

3: 65 percent / NaBH₄ / methanol; CHCl₃ / 0.5 h / 0 °C

4: 90 percent / NaOMe / methanol; 1,2-dichloro-ethane / 0.5 h / Ambient temperature

5: camphorsulfonic acid / CH₂Cl₂ / 96 h / Ambient temperature

With dmap; sodium tetrahydroborate; camphor-10-sulfonic acid; sodium methylate; titanium tetrachloride; In tetrahydrofuran; methanol; dichloromethane; chloroform; 1,2-dichloro-ethane;
DOI:10.1021/jm970031d

Reference yield:

: 178459-03-5
C₃₁H₂₅N₃O₇

: 156177-65-0
CEP-1347

Guidance literature:: Multi-step reaction with 4 steps

1: 66 percent / TiCl₄ / CH₂Cl₂ / 2 h

2: 65 percent / NaBH₄ / methanol; CHCl₃ / 0.5 h / 0 °C

3: 90 percent / NaOMe / methanol; 1,2-dichloro-ethane / 0.5 h / Ambient temperature

4: camphorsulfonic acid / CH₂Cl₂ / 96 h / Ambient temperature

With sodium tetrahydroborate; camphor-10-sulfonic acid; sodium methylate; titanium tetrachloride; In methanol; dichloromethane; chloroform; 1,2-dichloro-ethane;
DOI:10.1021/jm970031d

Reference yield:

: 121664-78-6
C₃₃H₂₅N₃O₉

: 156177-65-0
CEP-1347

Guidance literature:: Multi-step reaction with 3 steps

1: 65 percent / NaBH₄ / methanol; CHCl₃ / 0.5 h / 0 °C

2: 90 percent / NaOMe / methanol; 1,2-dichloro-ethane / 0.5 h / Ambient temperature

3: camphorsulfonic acid / CH₂Cl₂ / 96 h / Ambient temperature

With sodium tetrahydroborate; camphor-10-sulfonic acid; sodium methylate; In methanol; dichloromethane; chloroform; 1,2-dichloro-ethane;
DOI:10.1021/jm970031d