(S)-Seliciclib

Base Information

Chemical Name:(S)-Seliciclib
CAS No.:186692-45-5
Molecular Formula:C₁₉H₂₆N₆O
Molecular Weight:354.455
Hs Code.:
UNII:8C43G94891
DSSTox Substance ID:DTXSID101133475
Nikkaji Number:J1.046.671G
Wikidata:Q27270168
Pharos Ligand ID:LJZ9B2YZDA6H
ChEMBL ID:CHEMBL133342
Mol file:186692-45-5.mol

Synonyms:(S)-ROSCOVITINE;(S)-Seliciclib;186692-45-5;Seliciclib, (S)-;Seliciclib (2S)-form [MI];UNII-8C43G94891;Roscovitine, (S)-Isomer;(2S)-2-[[6-(benzylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol;CHEMBL133342;8C43G94891;1-Butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9H-purin-2-yl)amino)-, (2S)-;Lopac-R-7772;S-Roscovitine;SCHEMBL2907488;DTXSID101133475;HMS3229N15;BDBM50056163;HB3706;HSCI1_000094;AT25368;SDCCGSBI-0207196.P002;NCGC00015900-01;NCGC00162340-01;NCGC00162340-02;BRD-K57810622-001-01-5;Q27270168;(2S)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol;(S)-2-(6-(benzylamino)-9-isopropyl-9H-purin-2-ylamino)butan-1-ol;(S)-2-(6-Benzylamino-9-isopropyl-9H-purin-2-ylamino)-butan-1-ol;(s)-2-(6-benzylamino-9-isopropyl-9h-purin-2-ylamino)butan-1-ol;(2S)-2-[[9-(1-Methylethyl)-6-[(phenylmethyl)amino]-9H-purin-2-yl]amino]-1-butanol;(2S)-2-{[6-(Benzylamino)-9-(propan-2-yl)-9H-purin-2-yl]amino}butan-1-ol;

2-(S)-(1-Ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine

Suppliers and Price of (S)-Seliciclib

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

American Custom Chemicals Corporation
(S)-ROSCOVITINE 95.00%
5MG
$ 802.38

American Custom Chemicals Corporation
(S)-ROSCOVITINE 95.00%
1MG
$ 456.00

Adipogen Life Sciences
(S)-Roscovitine ≥99%(NMR)
5 mg
$ 90.00

Total 2 raw suppliers

Chemical Property of (S)-Seliciclib

Chemical Property:

Melting Point:103-106℃
PSA：91.12000
Density:1.25
LogP:2.69700
Storage Temp.:-20C
XLogP3:3.2
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:354.21680947
Heavy Atom Count:26
Complexity:417

Purity/Quality:: (S)-ROSCOVITINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3
Isomeric SMILES:CC[C@@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=CC=C3

Technology Process of (S)-Seliciclib

There total 12 articles about (S)-Seliciclib 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: 93.0%

: 482615-52-1
N-benzyl-2-fluoro-9-isopropyl-purin-6-amine

: 5856-63-3
(2R)-2-aminobutan-1-ol

: 186692-46-6,186692-45-5
roscovitine

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; butan-1-ol; at 140 ℃; for 48h; Inert atmosphere;
DOI:10.1016/j.bmc.2011.08.051