Otenabant hydrochloride

Base Information Edit

Chemical Name:Otenabant hydrochloride
CAS No.:686347-12-6
Deprecated CAS:919516-56-6
Molecular Formula:C25H26Cl3N7O
Molecular Weight:546.887
Hs Code.:
UNII:X2166Z319O
ChEMBL ID:CHEMBL2103817
DSSTox Substance ID:DTXSID30919439
NCI Thesaurus Code:C84035
Wikidata:Q27293347
Mol file:686347-12-6.mol

Synonyms:Otenabant hydrochloride;686347-12-6;CP 945598 Hydrochloride;Otenabant (Hydrochloride);Otenabant HCl;CP-945598 HCl;Otenabant HCl;Otenabant hydrochloride [USAN];1-(8-(2-chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl)-4-(ethylamino)piperidine-4-carboxamide hydrochloride;CP-945598 Hydrochloride;Otenabant(CP945598.HCl);Otenabant hydrochloride (USAN);919516-56-6;686347-12-6 (HCl);X2166Z319O;1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide hydrochloride;1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(ethylamino)piperidine-4-carboxamide;hydrochloride;CP945598 Hydrochloride;Cp945598.HCl;UNII-X2166Z319O;Otenabant (CP-945598) HCl;CP 945598-01;SCHEMBL3932007;CHEMBL2103817;CP945598HCL;DTXSID30919439;EX-A142;BCP06883;HY-10871A;s8012;AKOS024458047;CCG-269986;CS-1278;SB16484;1-(8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl)-4-(ethylamino)piperidine-4-carboxamide monohydrochloride;AC-32887;AS-57939;D09363;A860179;Q27293347;1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4-(ETHYLAMINO)PIPERIDINE-4- CARBOXAMIDE MONOHYDROCHLORIDE;1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)-4-piperidinecarboxamide hydrochloride;1-[8-(2-Chlorophenyl)-9-(4-chlorophenyl)-9H-purin-6-yl]-4-(ethylamino)piperidine-4-carboximidic acid--hydrogen chloride (1/1);4-PIPERIDINECARBOXAMIDE, 1-(8-(2-CHLOROPHENYL)-9-(4-CHLOROPHENYL)-9H-PURIN-6-YL)-4- (ETHYLAMINO)-, MONOHYDROCHLORIDE

Suppliers and Price of Otenabant hydrochloride

Supply Marketing:Edit

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
CP945598Hydrochloride
25mg
$ 185.00

Tocris
CP945598hydrochloride ≥99%(HPLC)
50
$ 900.00

Tocris
CP945598hydrochloride ≥99%(HPLC)
10
$ 225.00

Sigma-Aldrich
CP-945,598 ≥98% (HPLC)
5mg
$ 95.10

Sigma-Aldrich
CP-945,598 ≥98% (HPLC)
25mg
$ 385.00

DC Chemicals
Otenabant(CP945598.HCl) >98%
1 g
$ 1600.00

Crysdot
OtenabantHydrochloride 98+%
10mg
$ 76.00

Crysdot
OtenabantHydrochloride 98+%
50mg
$ 293.00

Cayman Chemical
CP 945,598 (hydrochloride) ≥98%
1mg
$ 28.00

Cayman Chemical
CP 945,598 (hydrochloride) ≥98%
25mg
$ 190.00

Total 30 raw suppliers

Chemical Property of Otenabant hydrochloride Edit

Chemical Property:

Melting Point:275-276℃ (decomposition)
PSA：101.96000
LogP:6.18130
Storage Temp.:room temp
Solubility.:DMSO: soluble1mg/mL, clear (warmed)
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:545.126442
Heavy Atom Count:36
Complexity:729

Purity/Quality:

99% ^*data from raw suppliers

CP945598Hydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCNC1(CCN(CC1)C2=NC=NC3=C2N=C(N3C4=CC=C(C=C4)Cl)C5=CC=CC=C5Cl)C(=O)N.Cl
Recent EU Clinical Trials:A RANDOMIZED, DOUBLE-BLIND, PLACEBO-CONTROLLED PHASE 2 STUDY
Uses CP 945598 is a selective, high affinity CB1 antagonist (Ki values are 0.7 and 0.12 nM in binding and functional assays respectively). Displays low affinity for CB2 receptors (Ki = 7600 nM).

Technology Process of Otenabant hydrochloride

There total 2 articles about Otenabant hydrochloride 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: 89.0%