MK-0773

Base Information

• Chemical Name: MK-0773
• CAS No.: 606101-58-0
• Molecular Formula: C27H34FN5O2
• Molecular Weight: 479.59
• UNII: 5730VNW22X
• ChEMBL ID: CHEMBL3221237
• DSSTox Substance ID: DTXSID701025274
• Nikkaji Number: J2.712.095D
• Wikidata: Q27261459
• Wikipedia: MK-0773
• Mol file: 606101-58-0.mol

Synonyms:3-fluoro-N-(3H-imidazo(4,5-b)pyridin-2-ylmethyl)-1,4a,6a-trimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno(5,4-f)quinoline-7-carboxamide;MK 0773;MK-0773;MK0773

Chemical Property of MK-0773

Chemical Property:

• Boiling Point: 754.2±60.0 °C(Predicted)
• PKA: 10.29±0.40(Predicted)
• PSA: 94.47000
• Density: 1.31±0.1 g/cm3(Predicted)
• LogP: 4.90510
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 479.26965351
• Heavy Atom Count: 35
• Complexity: 927

Purity/Quality:

99%, ^*data from raw suppliers

MK0773 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2C(=O)NCC4=NC5=C(N4)C=CC=N5)CCC6C3(C=C(C(=O)N6C)F)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2C(=O)NCC4=NC5=C(N4)C=CC=N5)CC[C@@H]6[C@@]3(C=C(C(=O)N6C)F)C
• Recent ClinicalTrials: Safety, Tolerability and Efficacy of MK0773 in Healthy Postmenopausal Women (0773-003)
• Recent EU Clinical Trials: A Phase IIa Randomized, Placebo-Controlled Clinical Trial to

Technology Process of MK-0773

There total 3 articles about MK-0773 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: 90.0%

C7H8N4*2ClH + (5α,17β)-2-Fluoro-3-oxo-4-methyl-4-azaandrost-1-ene-17-carboxylic acid (606101-79-5) → C27H34FN5O2 (606101-58-0)

Guidance literature:

(5α,17β)-2-Fluoro-3-oxo-4-methyl-4-azaandrost-1-ene-17-carboxylic acid; With 1,1'-carbonyldiimidazole; In acetonitrile; at 20 ℃; for 3h;

C₇H₈N₄*2ClH; With 4-methyl-morpholine; In acetonitrile; at 20 ℃; Product distribution / selectivity; Heating / reflux;

Reference yield:

(5α,17β)-2-Fluoro-3-oxo-4-methyl-4-azaandrost-1-ene-17-carboxylic acid (606101-79-5) + 1-(3H-imidazo[4,5-b]pyridin-2-yl)methanamine dihydrochloride → MK-0773 (606101-58-0)

Guidance literature:

With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In N,N-dimethyl-formamide; at 20 - 40 ℃; for 18h;

Reference yield:

→ MK-0773 (606101-58-0)

Guidance literature:

In 1,2-dimethoxyethane; for 2h; Purification / work up; Heating / reflux;

upstream raw materials:

(5α,17β)-2-Fluoro-3-oxo-4-methyl-4-azaandrost-1-ene-17-carboxylic acid

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