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328233-13-2

trans-7'-Oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid is a complex chemical compound featuring a cyclohexane ring fused with a furo[3,4-b]pyridine ring and a carboxylic acid functional group at the 4-position. As a spirocyclic derivative, it is characterized by two rings sharing a single atom. This unique structure endows it with potential pharmacological activities, making it a promising candidate for medicinal chemistry research and a subject of interest for synthetic organic chemists and pharmaceutical researchers in the development of new drug candidates.

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  • Spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylicacid, 7'-oxo-, trans-

    Cas No: 328233-13-2

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  • trans-7'-oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid

    Cas No: 328233-13-2

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  • 328233-13-2 Structure

  • Basic information

    1. Product Name: trans-7'-Oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid
    2. Synonyms: TRANS-7''-OXO-SPIRO[CYCLOHEXANE-1,5''(7''H)-FURO[3,4-B]PYRIDINE]-4-CARBOXYLIC ACID
    3. CAS NO:328233-13-2
    4. Molecular Formula: C13H13NO4
    5. Molecular Weight: 247.249
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 328233-13-2.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 538.704 °C at 760 mmHg
    3. Flash Point: 279.598 °C
    4. Appearance: /
    5. Density: 1.41
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. PKA: 4.51±0.20(Predicted)
    10. CAS DataBase Reference: trans-7'-Oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid(CAS DataBase Reference)
    11. NIST Chemistry Reference: trans-7'-Oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid(328233-13-2)
    12. EPA Substance Registry System: trans-7'-Oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid(328233-13-2)

  • 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: 328233-13-2(Hazardous Substances Data)

328233-13-2 Usage

Uses

Used in Medicinal Chemistry Research:
trans-7'-Oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid is utilized as a research compound for exploring its potential pharmacological properties. Its unique structure allows it to be studied for possible applications in drug discovery and development.
Used in Drug Discovery:
In the pharmaceutical industry, trans-7'-Oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid is used as a starting material or a scaffold in the design and synthesis of new drugs. Its complex structure and functional groups provide a foundation for further chemical modifications to enhance its therapeutic potential.
Used in Synthetic Organic Chemistry:
trans-7'-Oxo-spiro[cyclohexane-1,5'(7'H)-furo[3,4-b]pyridine]-4-carboxylic acid serves as a challenging and intriguing target for synthetic organic chemists. Its synthesis requires advanced techniques and innovative strategies, pushing the boundaries of chemical synthesis and potentially leading to the discovery of new synthetic methods or reagents.

Check Digit Verification of cas no

The CAS Registry Mumber 328233-13-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 3,2,8,2,3 and 3 respectively; the second part has 2 digits, 1 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 328233-13:
(8*3)+(7*2)+(6*8)+(5*2)+(4*3)+(3*3)+(2*1)+(1*3)=122
122 % 10 = 2
So 328233-13-2 is a valid CAS Registry Number.

328233-13-2SDS

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 trans-3-oxo-3H-spiro[4-aza-2-benzofuran-1,1'-cyclohexane]-4'-carboxylic acid

1.2 Other means of identification

Product number -
Other names SPIRO[CYCLOHEXANE-1,5'(7'H)-FURO[3,4-B]PYRIDINE]-4-CARBOXYLICACID, 7'-OXO-, TRANS-

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:328233-13-2 SDS

328233-13-2Relevant articles and documents

Discovery of trans-N-[1-(2-fluorophenyl)-3-pyrazolyl]-3-oxospiro[6-azaisobenzofuran-1(3H),1′-cyclohexane]-4′-carboxamide, a potent and orally active neuropeptide Y Y5 receptor antagonist

Haga, Yuji,Sakamoto, Toshihiro,Shibata, Takunobu,Nonoshita, Katsumasa,Ishikawa, Makoto,Suga, Takuya,Takahashi, Hirobumi,Takahashi, Toshiyuki,Takahashi, Hidekazu,Ando, Makoto,Murai, Takashi,Gomori, Akira,Oda, Zenjun,Kitazawa, Hidefumi,Mitobe, Yuko,Kanesaka, Maki,Ohe, Tomoyuki,Iwaasa, Hisashi,Ishii, Yasuyuki,Ishihara, Akane,Kanatani, Akio,Fukami, Takehiro

experimental part, p. 6971 - 6982 (2010/02/28)

A series of trans-3-oxospiro[(aza)isobenzofuran-1(3H),1′-cyclohexane]-4′-carboxamide derivatives were synthesized to identify potent NPY Y5 receptor antagonists. Of the compounds, 21j showed high Y5 binding affinity, metabolic stability and brain and cerebrospinal fluid (CSF) penetration, and low susceptibility to P-glycoprotein transporters. Oral administration of 21j significantly inhibited the Y5 agonist-induced food intake in rats with a minimum effective dose of 1 mg/kg. This compound was selected for proof-of-concept studies in human clinical trials.

Identification of positron emission tomography ligands for NPY Y5 receptors in the brain

Takahashi, Hirobumi,Haga, Yuji,Shibata, Takunobu,Nonoshita, Katsumasa,Sakamoto, Toshihiro,Moriya, Minoru,Ohe, Tomoyuki,Chiba, Masato,Mitobe, Yuko,Kitazawa, Hidefumi,Iwaasa, Hisashi,Ishihara, Akane,Ishii, Yasuyuki,Kanatani, Akio,Fukami, Takehiro

scheme or table, p. 5436 - 5439 (2010/05/19)

A series of trans-3-oxospiro[(aza)isobenzofuran-1(3H),1′-cyclohexane]-4′-carboxamide derivatives were synthesized and profiled for NPY Y5 binding affinity, brain and CSF penetrability in rats, and susceptibility to human and mouse P-glycoprotein transporters in order to develop a PET ligand. Compound 12b exhibited an acceptable profile for a PET ligand, and [11C]12b was successfully utilized in clinical settings as a Y5 PET ligand.

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