(3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{7,11}.0^{19,27}.0^{21,26}]octacosa-1(28),17,19,21,23,25-hexaen-8-ol

Base Information

Chemical Name:(3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{7,11}.0^{19,27}.0^{21,26}]octacosa-1(28),17,19,21,23,25-hexaen-8-ol
CAS No.:144177-30-0
Molecular Formula:C₂₉H₃₃N₃O
Molecular Weight:439.601
Hs Code.:
DSSTox Substance ID:DTXSID801098830
Nikkaji Number:J563.405I
Wikidata:Q27089224
Pharos Ligand ID:JBWP5MZ9NSY6
ChEMBL ID:CHEMBL2206331
Mol file:144177-30-0.mol

$(3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{7,11}.0^{19,27}.0^{21,26}]octacosa-1(28),17,19,21,23,25-hexaen-8-ol$

Synonyms:17-hydroxy-17-ethynyl-5alpha-androstano(3,2-b)pyrimido(1,2-a)benzimidazole;WIN 51708;WIN-51708

Suppliers and Price of (3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{7,11}.0^{19,27}.0^{21,26}]octacosa-1(28),17,19,21,23,25-hexaen-8-ol

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
WIN 51708 hydrate solid
25mg
$ 449.00

Sigma-Aldrich
WIN 51708 hydrate solid
5mg
$ 134.00

Sigma-Aldrich
WIN 51708 hydrate solid
100mg
$ 1360.00

American Custom Chemicals Corporation
WIN-51708 HYDRATE 95.00%
100MG
$ 1741.51

American Custom Chemicals Corporation
WIN-51708 HYDRATE 95.00%
25MG
$ 954.44

American Custom Chemicals Corporation
WIN-51708 HYDRATE 95.00%
5MG
$ 693.69

Total 2 raw suppliers

Chemical Property of (3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{7,11}.0^{19,27}.0^{21,26}]octacosa-1(28),17,19,21,23,25-hexaen-8-ol

Chemical Property:

PSA：50.42000
LogP:5.20420
Storage Temp.:−20°C
Solubility.:DMSO: >10mg/mL
XLogP3:6.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:439.262362685
Heavy Atom Count:33
Complexity:866

Purity/Quality:

97% ^*data from raw suppliers

WIN 51708 hydrate solid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2(C#C)O)CCC4C3(CC5=CN6C7=CC=CC=C7N=C6N=C5C4)C
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CC[C@@H]4[C@@]3(CC5=CN6C7=CC=CC=C7N=C6N=C5C4)C

Technology Process of (3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{7,11}.0^{19,27}.0^{21,26}]octacosa-1(28),17,19,21,23,25-hexaen-8-ol

There total 2 articles about (3S,4S,7S,8R,11S,12R,15S)-8-ethynyl-3,7-dimethyl-18,20,27-triazaheptacyclo[15.11.0.0^{3,15}.0^{4,12}.0^{7,11}.0^{19,27}.0^{21,26}]octacosa-1(28),17,19,21,23,25-hexaen-8-ol 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: 90.0%

: 934-32-7
1H-benzimidazol-2-amine

: 78094-38-9,138231-82-0
(5α,17α)-17-hydroxy-2-(hydroxymethylene)pregn-20-yn-3-one

: 144177-30-0
Win 51708

Guidance literature:: In ethanol; Heating;
DOI:10.1021/jm00080a025

Reference yield:

: 13611-97-7
17α-ethynyldihydrotestosterone

: 144177-30-0
Win 51708

Guidance literature:: Multi-step reaction with 2 steps

1: NaOMe

2: 90 percent / ethanol / Heating

With sodium methylate; In ethanol;
DOI:10.1021/jm00080a025