(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol

Base Information

Chemical Name:(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol
CAS No.:294646-77-8
Molecular Formula:C24H29N7O
Molecular Weight:431.541
Hs Code.:
European Community (EC) Number:684-164-4
DSSTox Substance ID:DTXSID80436984
Wikidata:Q27097669
Metabolomics Workbench ID:151596
ChEMBL ID:CHEMBL518800
Mol file:294646-77-8.mol

Synonyms:294646-77-8;CR8, (R)-Isomer;(R)-CR8;(2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol;(R)?-?CR8;(R)-2-((9-Isopropyl-6-((4-(pyridin-2-yl)benzyl)amino)-9H-purin-2-yl)amino)butan-1-ol;CHEMBL518800;1-Butanol, 2-[[9-(1-methylethyl)-6-[[[4-(2-pyridinyl)phenyl]methyl]amino]-9H-purin-2-yl]amino]-, (2R)-;CR8;(2R)-2-[[9-propan-2-yl-6-[(4-pyridin-2-ylphenyl)methylamino]purin-2-yl]amino]butan-1-ol;3ddp;RC8;CDK inhibitor CR8;CR8 3HCl (R);(R)-IsomerCR8, (R)-Isomer;SCHEMBL13001902;GTPL11065;CR8-(R);DTXSID80436984;HMS3229B13;BDBM50154937;AKOS025394606;CR8, >=95% (HPLC);DB08463;NCGC00370890-01;HY-18340;MS-27687;CS-0007451;EN300-25631346;Q27097669;(R)-2-(9-Isopropyl-6-(4-(pyridin-2-yl)benzylamino)-9H-purin-2-ylamino)butan-1-ol;(2R)-2-{[9-(propan-2-yl)-6-({[4-(pyridin-2-yl)phenyl]methyl}amino)-9H-purin-2-yl]amino}butan-1-ol

Suppliers and Price of (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-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

TRC
CR8,(R)-Isomer
10mg
$ 250.00

Tocris
(R)-CR8 ≥99%(HPLC)
10
$ 267.00

Sigma-Aldrich
CR8 ≥95% (HPLC)
5mg
$ 265.00

Sigma-Aldrich
CR8 ≥95% (HPLC)
25mg
$ 1060.00

ChemScene
(R)?-?CR8 >98.0%
10mg
$ 990.00

ChemScene
(R)?-?CR8 >98.0%
5mg
$ 550.00

Cayman Chemical
(R)-CR8
5mg
$ 146.00

Cayman Chemical
(R)-CR8 ≥98%
1mg
$ 45.00

Cayman Chemical
(R)-CR8 ≥98%
10mg
$ 225.00

Axon Medchem
CDKinhibitorCR8-(R)-CR8 99%
25 mg
$ 506.00

Total 8 raw suppliers

Chemical Property of (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol

Chemical Property:

Melting Point:98-100℃
PSA：100.78000
LogP:4.41010
Storage Temp.:Store at +4°C
Solubility.:DMSO: ≥10mg/mL
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:431.24335857
Heavy Atom Count:32
Complexity:557

Purity/Quality:

98%,99%, ^*data from raw suppliers

CR8,(R)-Isomer ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CCC(CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4
Isomeric SMILES:CC[C@H](CO)NC1=NC(=C2C(=N1)N(C=N2)C(C)C)NCC3=CC=C(C=C3)C4=CC=CC=N4
Description CR8 (294646-77-8) is a second generation analog of roscovitine which inhibits cyclin-dependent kinases with increased potency, Cdk1/cyclin B, Cdk2/cyclin A, Cdk2/cyclin E, Cdk5, p25, and Cdk9/cyclin T, IC50s=0.09, 0.072, 0.041, 0.11 and 0.18 μM respectively.1,2 Acts as a molecular glue degrader that depletes cyclin K.3 CR8 displays neuroprotective effects in various models including traumatic brain injury.4
Uses CR8, (R)-Isomer is a cell-permeable, ATP-binding pocket-targeting CDK/CK1 dual-specific inhibitor.

Technology Process of (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-ol

There total 1 articles about (2R)-2-({9-(1-methylethyl)-6-[(4-pyridin-2-ylbenzyl)amino]-9H-purin-2-yl}amino)butan-1-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: 92.0%