Crinecerfont

Base Information

Chemical Name:Crinecerfont
CAS No.:752253-39-7
Molecular Formula:C₂₇H₂₈ClFN₂OS
Molecular Weight:483.05
Hs Code.:
UNII:MFT24BX55I
DSSTox Substance ID:DTXSID10996687
Nikkaji Number:J2.788.046K
Wikidata:Q27088874
NCI Thesaurus Code:C174708
Pharos Ligand ID:W3JYT8TJURTS
ChEMBL ID:CHEMBL291657
Mol file:752253-39-7.mol

Synonyms:4-(2-chloro-4-methoxy-5-methylphenyl)-N-((1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine;crinecerfont;NBI 74788;NBI-74788

Suppliers and Price of Crinecerfont

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
SSR-125543 95.00%
5MG
$ 497.89

Total 7 raw suppliers

Chemical Property of Crinecerfont

Chemical Property:

Vapor Pressure:5.69E-13mmHg at 25°C
Boiling Point:569.2°Cat760mmHg
Flash Point:298.1°C
PSA：53.60000
Density:1.243g/cm³
LogP:7.51740
XLogP3:8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:8
Exact Mass:482.1594906
Heavy Atom Count:33
Complexity:699

Purity/Quality:

99%, ^*data from raw suppliers

SSR-125543 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)C(CC2CC2)N(CC#C)C3=NC(=C(S3)C)C4=C(C=C(C(=C4)C)OC)Cl)F
Isomeric SMILES:CC1=C(C=C(C=C1)[C@H](CC2CC2)N(CC#C)C3=NC(=C(S3)C)C4=C(C=C(C(=C4)C)OC)Cl)F
Recent ClinicalTrials:Global Safety and Efficacy Registration Study of Crinecerfont in Pediatric Patients With Classic Congenital Adrenal Hyperplasia (CAHtalyst Pediatric Study)
Recent EU Clinical Trials:A Randomized, Double-Blind, Placebo-Controlled Study to Evaluate the Safety and Efficacy of Crinecerfont (NBI-74788) in Pediatric Subjects with Classic Congenital Adrenal Hyperplasia, Followed by Open-Label Treatment

Technology Process of Crinecerfont

There total 3 articles about Crinecerfont 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: 77.2%

: (S)-4-(2-chloro-4-methoxy-5-methylphenyl)-N-(2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methylthiazol-2-amine

: 106-96-7
propargyl bromide

: 752253-39-7
4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine

Guidance literature:: (S)-4-(2-chloro-4-methoxy-5-methylphenyl)-N-(2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl)-5-methylthiazol-2-amine; With tetrabutylammomium bromide; In tert-butyl methyl ether; at 60 ℃; for 0.5h; Large scale;

propargyl bromide; With potassium hydroxide; In tert-butyl methyl ether; water; toluene; at 0 - 6 ℃; for 14.5h; Temperature; Solvent; Large scale;

Reference yield:

: 1253695-28-1
1-(2-chloro-4-methoxy-5-methylphenyl)-2-thiocyanatopropan-1-one

: 752253-39-7
4-(2-chloro-4-methoxy-5-methylphenyl)-N-[(1S)-2-cyclopropyl-1-(3-fluoro-4-methylphenyl)ethyl]-5-methyl-N-prop-2-ynyl-1,3-thiazol-2-amine

Guidance literature:: Multi-step reaction with 2 steps

1.1: sodium hydroxide / water; n-heptane / Large scale

1.2: 2 h / 83 - 85 °C / Large scale

2.1: tetrabutylammomium bromide / tert-butyl methyl ether / 0.5 h / 60 °C / Large scale

2.2: 14.5 h / 0 - 6 °C / Large scale

With tetrabutylammomium bromide; sodium hydroxide; In n-heptane; tert-butyl methyl ether; water;