Ro 48-8071 fumarate

Base Information

Chemical Name:Ro 48-8071 fumarate
CAS No.:189197-69-1
Molecular Formula:C23H27BrFNO2
Molecular Weight:448.3684
Hs Code.:
UNII:7YBF6VZ4ML
Pharos Ligand ID:3A6LWHZMB9PH
ChEMBL ID:CHEMBL324162
Mol file:189197-69-1.mol

Synonyms:Ro 48-8071 fumarate;189197-69-1;Ro 48-8071 (fumarate);Ro-48-8071 fumarate;Ro48-8071fumarate;7YBF6VZ4ML;(4-((6-(Allyl(methyl)amino)hexyl)oxy)-2-fluorophenyl)(4-bromophenyl)methanone fumarate;CHEMBL324162;(4-bromophenyl)-[2-fluoro-4-[6-[methyl(prop-2-enyl)amino]hexoxy]phenyl]methanone;(E)-but-2-enedioic acid;Methanone, (4-bromophenyl)(2-fluoro-4-((6-(methyl-2-propenylamino)hexyl)oxy)phenyl)-,(2E)-2-butenedioate;Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]-, (2E)-2-butenedioate (1:1);Ro48-8071 fumarate;MFCD05865242;UNII-7YBF6VZ4ML;C27H31BrFNO6;SCHEMBL3189902;SCHEMBL4437311;189197-69-1(fumarate);EX-A532;CHEBI:101097;BCP13405;HY-18630A;AKOS025142107;CS-3519;[4'-[6-(Allylmethylamino)hexyloxy]-4-bromo-2'-fluorobenzophenone fumarate (1:1);AC-35981;AS-57113;A14321;A880467;J-012205;Q27177295;(4-Bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]methanone;(2E)-but-2-enedioic acid;{6-[4-(4-bromobenzoyl)-3-fluorophenoxy]hexyl}(methyl)(prop-2-en-1-yl)amine;(4-bromophenyl)[2-fluoro-4-({6-[methyl(prop-2-en-1-yl)amino]hexyl}oxy)phenyl]methanone (2E)-but-2-enedioate;(4-Bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]methanone (2E)-2-butenedioate;(4-Bromophenyl)[2-fluoro-4-[[6-(methyl-2-propen-1-ylamino)hexyl]oxy]phenyl]methanone (2E)-2-butenedioate (1:1);6-[4-(4-bromobenzoyl)-3-fluorophenoxy]-N-methyl-N-(prop-2-en-1-yl)hexan-1-aminium (2E)-3-carboxyprop-2-enoate;Methanone, (4-bromophenyl)[2-fluoro-4-[[6-(methyl-2-propenylamino)hexyl]oxy]phenyl]-, (E)-2-butenedioate (1:1)

Suppliers and Price of Ro 48-8071 fumarate

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
Ro48-8071Fumarate
50mg
$ 380.00

Sigma-Aldrich
OSC Inhibitor, Ro 48-8071
10mg
$ 118.00

DC Chemicals
Ro48-8071fumarate >98%
1 g
$ 1500.00

DC Chemicals
Ro48-8071fumarate >98%
250 mg
$ 825.00

DC Chemicals
Ro48-8071fumarate >98%
100 mg
$ 420.00

Crysdot
Ro48-8071fumarate 98+%
100mg
$ 418.00

Crysdot
Ro48-8071fumarate 98+%
50mg
$ 248.00

Biosynth Carbosynth
Ro 48-8071 fumarate
50 mg
$ 262.50

Biosynth Carbosynth
Ro 48-8071 fumarate
10 mg
$ 75.00

ApexBio Technology
Ro48-8071fumarate
5mg
$ 70.00

Total 14 raw suppliers

Chemical Property of Ro 48-8071 fumarate

Chemical Property:

Melting Point:90-92.7?°C
Boiling Point:522.8°Cat760mmHg
Flash Point:270°C
PSA：104.14000
Density:1.235g/cm³
LogP:5.58800
Storage Temp.:2-8°C
Solubility.:H2O: >5 mg/mL at ~60 °C
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:14
Exact Mass:563.13188
Heavy Atom Count:36
Complexity:587

Purity/Quality:

99%, ^*data from raw suppliers

Ro48-8071Fumarate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C.C(=CC(=O)O)C(=O)O
Isomeric SMILES:CN(CCCCCCOC1=CC(=C(C=C1)C(=O)C2=CC=C(C=C2)Br)F)CC=C.C(=C/C(=O)O)\C(=O)O

Technology Process of Ro 48-8071 fumarate

There total 6 articles about Ro 48-8071 fumarate 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:

: 110-17-8,26099-09-2
(2E)-but-2-enedioic acid

: 161582-11-2
[4-[6-(allyl-methyl-amino)-hexyloxy]-2-fluoro-phenyl]-(4-bromo-phenyl)-methanone

: 189197-69-1
Ro 48-8071

Guidance literature:: In ethanol;

Reference yield:

: 586-75-4
4-chlorobenzoyl chloride

: 189197-69-1
Ro 48-8071

Guidance literature:: Multi-step reaction with 5 steps

1: aluminum (III) chloride / nitrobenzene / 8 - 20 °C

2: hydrogen bromide; water / acetic acid / 8 h / 125 °C

3: potassium carbonate / acetone / 5 h / 75 °C

4: N,N-dimethyl acetamide / 27 h / 0 - 20 °C

5: ethanol

With aluminum (III) chloride; water; hydrogen bromide; potassium carbonate; In ethanol; N,N-dimethyl acetamide; acetic acid; nitrobenzene; acetone;

Reference yield:

: 629-03-8
1 ,6-dibromohexane

: 189197-69-1
Ro 48-8071

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / acetone / 5 h / 75 °C

2: N,N-dimethyl acetamide / 27 h / 0 - 20 °C

3: ethanol

With potassium carbonate; In ethanol; N,N-dimethyl acetamide; acetone;