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CAS

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4-Formyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester is a chemical compound that is commonly used in organic synthesis and pharmaceutical research. It is an ester derivative of bicyclo[2.2.2]octane-1-carboxylic acid, containing a formyl group and a methyl ester group. Known for its unique molecular structure and potential applications in medicinal chemistry, 4-Formyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester's chemical properties and reactivity make it an important building block for the synthesis of various organic molecules and pharmaceutical drugs. Additionally, its structural features may contribute to its biological activity and potential therapeutic effects, making it a valuable target for drug discovery and development.

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  • 94994-25-9 Structure
  • Basic information

    1. Product Name: 4-Formyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester
    2. Synonyms: 4-Formyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester;Methyl 4-formylbicyclo[2.2.2]octane-1-carboxylate
    3. CAS NO:94994-25-9
    4. Molecular Formula: C11H16O3
    5. Molecular Weight: 196.24294
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 94994-25-9.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 261℃
    3. Flash Point: 109℃
    4. Appearance: /
    5. Density: 1.252
    6. Refractive Index: N/A
    7. Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
    8. Solubility: Chloroform (Sparingly), Ethyl Acetate (Slightly)
    9. CAS DataBase Reference: 4-Formyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester(CAS DataBase Reference)
    10. NIST Chemistry Reference: 4-Formyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester(94994-25-9)
    11. EPA Substance Registry System: 4-Formyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester(94994-25-9)
  • 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: 94994-25-9(Hazardous Substances Data)

94994-25-9 Usage

Uses

Used in Organic Synthesis:
4-Formyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester is used as a building block for the synthesis of various organic molecules. Its unique molecular structure and reactivity make it a valuable component in the creation of complex organic compounds.
Used in Pharmaceutical Research:
In the pharmaceutical industry, 4-Formyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester is used as a key intermediate in the development of new drugs. Its potential therapeutic effects and biological activity make it a promising candidate for drug discovery and the advancement of medicinal chemistry.
Used in Drug Discovery:
4-Formyl-bicyclo[2.2.2]octane-1-carboxylic acid methyl ester is utilized as a target for drug discovery due to its potential therapeutic effects and unique structural features. Researchers are interested in exploring its properties to develop new pharmaceutical drugs with improved efficacy and safety profiles.

Check Digit Verification of cas no

The CAS Registry Mumber 94994-25-9 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 9,4,9,9 and 4 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 94994-25:
(7*9)+(6*4)+(5*9)+(4*9)+(3*4)+(2*2)+(1*5)=189
189 % 10 = 9
So 94994-25-9 is a valid CAS Registry Number.

94994-25-9SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name methyl 1-formylbicyclo[2.2.2]octane-4-carboxylate

1.2 Other means of identification

Product number -
Other names 4-carbomethoxybicyclo[2.2.2]octane-1-carboxaldehyde

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:94994-25-9 SDS

94994-25-9Downstream Products

94994-25-9Relevant articles and documents

MONOCARBOXYLIC ACID TRANSPORTER 4 (MCT4) MODULATORS AND USES THEREOF

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, (2021/11/26)

Disclosed herein are compounds, compositions, and methods for modulating the monocarboxylic acid transporter 4 (MCT4) with the compounds and compositions disclosed herein. Also described are methods of treating diseases or conditions that are mediated by

CYCLOPROPYLAMINE COMPOUND AS LSD1 INHIBITOR AND USE THEREOF

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Paragraph 0191-0193; 0196-0197; 0199, (2021/07/24)

Provided is a cyclopropylamine compound as lysine-specific demethylase 1 (LSD1) inhibitor, and a use thereof in preparation of drug for treating diseases associated with LSD1. The cyclopropylamine compound is a compound represented by formula (I), an isomer thereof, and a pharmaceutically acceptable salt thereof.

SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS

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Page/Page column 86-88; 200-201, (2020/08/28)

Disclosed are compounds of Formula (I): or a stereoisomer, a tautomer, or a salt or solvate thereof, wherein Q is C2-6 alkenyl or C2-6 alkynyl, each substituted with zero to 2 R1; and the other variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. Also disclosed are pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS

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Page/Page column 90; 93; 94; 121; 122, (2020/08/28)

Disclosed are compounds of Formula (I): or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt or solvate thereof, wherein Q is: (i) halo, cyano, hydroxyl, NRxRx, C(O)OH, C(O)NH2, C1-6 alkyl substituted with zero to 6 R1a, or P(O)R1cR1c; or (ii) L R1; and A, X1, X2, X3, X4, Z1, Z2, R1, R1a, R1c, R2, R3a, R3b, Rx, L, a, b, and d are defined herein. Also disclosed are methods of using these compounds to modulate the activity of farnesoid X receptor (FXR); pharmaceutical compositions comprising these compounds; and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS

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Page/Page column 172; 173; 264; 265, (2020/08/28)

Disclosed are compounds of Formula (I) or a stereoisomer, a tautomer, or a salt or solvate thereof, wherein all the variables are as defined herein. These compounds modulate the activity of farnesoid X receptor (FXR), for example, as agonists. Also disclosed are pharmaceutical compositions comprising these compounds and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

SUBSTITUTED AMIDE COMPOUNDS USEFUL AS FARNESOID X RECEPTOR MODULATORS

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Page/Page column 112-113; 151, (2020/08/28)

Disclosed are compounds of Formula (I) or a stereoisomer, a tautomer, or a pharmaceutically acceptable salt or solvate thereof, wherein Q is a 5-membered heterocyclyl or 5-membered heteroaryl having 1 to 4 heteroatoms independently selected from N, O, and S, substituted with zero to 4 R1; and A, X1, X2, X3, X4, Z1, Z2, R1, R2, R3a, R3b, a, b, and d are defined herein. Also disclosed are methods of using these compounds to modulate the activity of farnesoid X receptor (FXR); pharmaceutical compositions comprising these compounds; and methods of treating a disease, disorder, or condition associated with FXR dysregulation, such as pathological fibrosis, transplant rejection, cancer, osteoporosis, and inflammatory disorders, by using the compounds and pharmaceutical compositions.

PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE

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Paragraph 1007; 1011, (2020/07/07)

The present invention provides a compound represented by formula [I] shown below or a pharmaceutically acceptable salt thereof that has an inhibitory effect on 20-HETE producing enzyme. (in formula [I] above, the structure represented by formula [II] below: represents any of the structures represented by formula group [III] below: R1, R2, R3, and R4 independently represent a hydrogen atom, a fluorine atom, methyl, or the like, R5 represents any of the structures represented by formula group [IV]:

BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS

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, (2019/05/15)

The present invention provides compounds of Formula (I): or stereoisomers, tautomers, or pharmaceutically acceptable salts or solvates thereof, wherein all the variables are as defined herein. These compounds modulate the activity of farnesoid X receptor

Substituted pyrazolo-piperazines as casein kinase 1 δ/ε inhibitors

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, (2016/03/19)

The invention provides compounds of Formula (I): and pharmaceutically acceptable salts thereof. The compounds of Formula (I) inhibit protein kinase activity thereby making them useful as anticancer agents.

SPIRO AZETIDINE ISOXAZOLE DERIVATIVES AND THEIR USE AS SSTR5 ANTAGONISTS

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Paragraph 1270; 1289, (2014/09/29)

Provided is a compound represented by the following formula (1) or a salt thereof, which has an SSTR5 antagonistic action: wherein each symbol has the same definition as in the specification.

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