JDTic

Base Information

Chemical Name:JDTic
CAS No.:361444-66-8
Molecular Formula:C28H39N3O3
Molecular Weight:465.63
Hs Code.:
UNII:3C6FZ6UXC8
DSSTox Substance ID:DTXSID70433301
Nikkaji Number:J1.583.151K
Wikipedia:JDTic
Wikidata:Q909405
Pharos Ligand ID:1QHW5UJT8VB1
ChEMBL ID:CHEMBL415247
Mol file:361444-66-8.mol

Synonyms:JDTic;361444-66-8;Rti-jdtic;3C6FZ6UXC8;CHEMBL415247;(3R)-7-hydroxy-N-[(2S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-3-methylbutan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3R)-7-Hydroxy-N-((2S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;(3r)-7-Hydroxy-N-{(2s)-1-[(3r,4r)-4-(3-Hydroxyphenyl)-3,4-Dimethylpiperidin-1-Yl]-3-Methylbutan-2-Yl}-1,2,3,4-Tetrahydroisoquinoline-3-Carboxamide;3-Isoquinolinecarboxamide, 1,2,3,4-tetrahydro-7-hydroxy-N-((1S)-1-(((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl)methyl)-2-methylpropyl)-, (3R)-;(3r)-7-hydroxy-n-((1s)-1-[[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide;(3R)-7-HYDROXY-N-((1S)-1-{[(3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYL-1-PIPERIDINYL]METHYL}-2-METHYLPROPYL)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXAMIDE;(3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide;(3r)-7-hydroxy-n-[(1s)-1-{[(3r,4r)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide;JDC;CS-0537;D0UG5M;UNII-3C6FZ6UXC8;GTPL7362;SCHEMBL3894627;DTXSID70433301;ZLVXBBHTMQJRSX-VMGNSXQWSA-N;7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {1-[4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-ylmethyl]-2-methyl-propyl}-amide;AMY23740;EX-A3812;BDBM50130563;compound 10 [PMID: 11495579];NCGC00378654-01;HY-10486;A924020;Q909405;atrans-(3R,4R)-dimethyl-4-(3-hydroxyphenyl) piperidine;(3R)-1,2,3,4-Tetrahydro-7-hydroxy-N-[(1S)-1-[[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl]-2-methylpropyl]-3-isoquinolinecarboxamide;(3R)-7-hydroxy-N-(1S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl-2-methylpropyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide;7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {(S)-1-[(3R,4R)-4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-ylmethyl]-2-methyl-propyl}-amide

Suppliers and Price of JDTic

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

CSNpharm
JDTic
50mg
$ 837.00

CSNpharm
JDTic
25mg
$ 441.00

Crysdot
JDTic 98+%
100mg
$ 1650.00

ApexBio Technology
JDTic
10mg
$ 355.00

ApexBio Technology
JDTic
5mg
$ 226.00

ApexBio Technology
JDTic
50mg
$ 1369.00

American Custom Chemicals Corporation
(R)-7-HYDROXY-N-((S)-1-((3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYLPIPERIDIN-1-YL)-3-METHYLBUTAN-2-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE 95.00%
1G
$ 1083.39

American Custom Chemicals Corporation
(R)-7-HYDROXY-N-((S)-1-((3R,4R)-4-(3-HYDROXYPHENYL)-3,4-DIMETHYLPIPERIDIN-1-YL)-3-METHYLBUTAN-2-YL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXAMIDE 95.00%
5MG
$ 333.30

Total 59 raw suppliers

Chemical Property of JDTic

Chemical Property:

Boiling Point:701.9±60.0 °C(Predicted)
PKA:9.96±0.10(Predicted)
PSA：88.32000
Density:1.129
LogP:4.65960
Solubility.:Soluble in DMSO
XLogP3:4.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:465.29914211
Heavy Atom Count:34
Complexity:688

Purity/Quality:

97% ^*data from raw suppliers

JDTic ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CN(CCC1(C)C2=CC(=CC=C2)O)CC(C(C)C)NC(=O)C3CC4=C(CN3)C=C(C=C4)O
Isomeric SMILES:C[C@H]1CN(CC[C@@]1(C)C2=CC(=CC=C2)O)C[C@H](C(C)C)NC(=O)[C@H]3CC4=C(CN3)C=C(C=C4)O
Recent ClinicalTrials:First in Humans Study of JDTic
Uses JDTic is a highly selective antagonist of κ-opioid receptor (KOR).

Technology Process of JDTic

There total 20 articles about JDTic 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:

: 441003-76-5
tert-butyl-(3R)-7-hydroxy-3-{[((1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)amino]carbonyl}-3,4-dihydrohydro-2(1H)-isoquinolinecarboxylate

: 785835-79-2,361444-66-8
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Guidance literature:: With trifluoroacetic acid; In dichloromethane;
DOI:10.1021/jm015521r

Reference yield:

: 220122-59-8
N-<(2'S)-amino-3'-methylbutyl>-(3R,4R)-4-(3-hydroxyphenyl)piperidine

: 785835-79-2,361444-66-8
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: BOP; Et₃N / tetrahydrofuran / 2 h / 20 °C

2: TFA / CH₂Cl₂ / -20 - 20 °C

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm030094y

Reference yield:

: 214630-00-9
(3R)-2-(tert-butoxycarbonyl)-7-hydroxy-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

: 785835-79-2,361444-66-8
(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide

Guidance literature:: Multi-step reaction with 2 steps

1: BOP; Et₃N / tetrahydrofuran / 2 h / 20 °C

2: TFA / CH₂Cl₂ / -20 - 20 °C

With (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate; triethylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm030094y