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1039399-17-1

PF-03654746, also known as 4-Methylbenzenesulfonate (1:1), is a chemical compound belonging to the benzenesulfonate family. It is widely used in the pharmaceutical industry as a research chemical for drug discovery and development. With its potential therapeutic applications, particularly in cardiovascular and metabolic disorders, PF-03654746 has demonstrated promising pharmacological properties, such as anti-inflammatory and anti-oxidative effects. Its unique chemical structure and properties make it a valuable tool for researchers and scientists in the pursuit of new drug candidates and therapeutic interventions. Furthermore, it has shown potential as a building block for the synthesis of novel chemical compounds with diverse biological activities.

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  • N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide,4-methylbenzenesulfonic acid

    Cas No: 1039399-17-1

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  • Cyclobutanecarboxamide, N-ethyl-3-fluoro-3-[3-fluoro-4-(1-pyrrolidinylmethyl)phenyl]-, trans-, 4-methylbenzenesulfonate (1:1)

    Cas No: 1039399-17-1

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  • 1039399-17-1 Structure

  • Basic information

    1. Product Name: PF-03654746, 4-Methylbenzenesulfonate (1:1)
    2. Synonyms: PF-03654746, 4-Methylbenzenesulfonate (1:1);trans-N-Ethyl-3-fluoro-3-[3-fluoro-4-(1-pyrrolidinylmethyl)phenyl]-cyclobutanecarboxamide 4-methylbenzenesulfonate;PF3654746;IKAYTZLLIWAEDV-WXWMPIANSA-N
    3. CAS NO:1039399-17-1
    4. Molecular Formula: C7H8O3S*C18H24F2N2O
    5. Molecular Weight: 494.5943864
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1039399-17-1.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: N/A
    3. Flash Point: N/A
    4. Appearance: /
    5. Density: N/A
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: PF-03654746, 4-Methylbenzenesulfonate (1:1)(CAS DataBase Reference)
    10. NIST Chemistry Reference: PF-03654746, 4-Methylbenzenesulfonate (1:1)(1039399-17-1)
    11. EPA Substance Registry System: PF-03654746, 4-Methylbenzenesulfonate (1:1)(1039399-17-1)

  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany:
    5. RTECS:
    6. HazardClass: N/A
    7. PackingGroup: N/A
    8. Hazardous Substances Data: 1039399-17-1(Hazardous Substances Data)

1039399-17-1 Usage

Uses

Used in Pharmaceutical Industry:
PF-03654746, 4-Methylbenzenesulfonate (1:1) is used as a research chemical for drug discovery and development. Its unique chemical structure and properties make it a valuable tool for researchers and scientists in the pursuit of new drug candidates and therapeutic interventions.
Used in Cardiovascular and Metabolic Disorders Treatment:
PF-03654746, 4-Methylbenzenesulfonate (1:1) is used as a potential therapeutic agent for the treatment of cardiovascular and metabolic disorders. Its pharmacological properties, including anti-inflammatory and anti-oxidative effects, contribute to its potential as a treatment option for these conditions.
Used in Synthesis of Novel Chemical Compounds:
PF-03654746, 4-Methylbenzenesulfonate (1:1) is used as a building block for the synthesis of novel chemical compounds with diverse biological activities. Its unique structure and properties make it a valuable component in the development of new compounds with potential applications in various fields.

Check Digit Verification of cas no

The CAS Registry Mumber 1039399-17-1 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,0,3,9,3,9 and 9 respectively; the second part has 2 digits, 1 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1039399-17:
(9*1)+(8*0)+(7*3)+(6*9)+(5*3)+(4*9)+(3*9)+(2*1)+(1*7)=171
171 % 10 = 1
So 1039399-17-1 is a valid CAS Registry Number.

1039399-17-1SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]cyclobutane-1-carboxamide,4-methylbenzenesulfonic acid

1.2 Other means of identification

Product number -
Other names UNII-V600I6H7T6

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1039399-17-1 SDS

1039399-17-1Downstream Products

1039399-17-1Relevant articles and documents

Discovery of two clinical histamine H3 receptor antagonists: Trans - N -ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidinylmethyl)phenyl] cyclobutanecarboxamide (PF-03654746) and trans -3-fluoro-3-[3-fluoro-4- (pyrrolidin-1-ylmethyl)phenyl]- N -(2-methy

Wager, Travis T.,Pettersen, Betty A.,Schmidt, Anne W.,Spracklin, Douglas K.,Mente, Scot,Butler, Todd W.,Howard, Harry,Lettiere, Daniel J.,Rubitski, David M.,Wong, Diane F.,Nedza, Frank M.,Nelson, Frederick R.,Rollema, Hans,Raggon, Jeffrey W.,Aubrecht, Jiri,Freeman, Jody K.,Marcek, John M.,Cianfrogna, Julie,Cook, Karen W.,James, Larry C.,Chatman, Linda A.,Iredale, Philip A.,Banker, Michael J.,Homiski, Michael L.,Munzner, Jennifer B.,Chandrasekaran, Rama Y.

, p. 7602 - 7620 (2012/01/05)

The discovery of two histamine H3 antagonist clinical candidates is disclosed. The pathway to identification of the two clinical candidates, 6 (PF-03654746) and 7 (PF-03654764) required five hypothesis driven design cycles. The key to success i

TOLUENE SULFONIC ACID SALT OF A THERAPEUTIC COMPOUND AND PHARMACEUTICAL COMPOSITIONS THEREOF

-

Page/Page column 7-8, (2008/12/07)

The present invention is directed to the tosylate salt of trans-N-ethyl-3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)-phenyl]-cyclobutanecarboxamide (1): to solvates (e.g., hydrates) thereof, to polymorphs thereof, to pharmaceutical compositions thereof and to a method of treating depression, mood disorders, schizophrenia, anxiety disorders, cognitive disorders, Alzheimer's disease, attention-deficit disorder (ADD), attention-deficit hyperactivity disorder (ADHD), psychotic disorders, sleep disorders, obesity, dizziness, epilepsy, motion sickness, respiratory diseases, allergy, allergy-induced airway responses, allergic rhinitis, nasal congestion, allergic congestion, congestion, hypotension, cardiovascular disease, diseases of the GI tract, hyper- and hypo-motility and acidic secretion of the gastro-intestinal tract comprising administering a therapeutically effective amount thereof.

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