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Trans-3'-Oxo-spiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxylic acid is a complex spiro compound characterized by the fusion of a cyclohexane ring and an isobenzofuran ring. The distinctive feature of this molecule is the presence of an oxo group at the 3' position and a carboxylic acid group at the 4 position, which endows it with unique chemical properties. Its intriguing structure and functional groups suggest potential applications in various fields such as pharmacology, organic synthesis, and material science. However, further research is required to explore and confirm its properties and uses.

328233-08-5

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  • trans-3'-Oxo-spiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxylic acid

    Cas No: 328233-08-5

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  • trans-3'-oxo-spiro[cyclohexane-1,1'(3'H)-isobenzoFuran]-4-carboxylic acid

    Cas No: 328233-08-5

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328233-08-5 Usage

Uses

Used in Pharmaceutical Industry:
Trans-3'-Oxo-spiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxylic acid is used as a potential pharmaceutical agent for [application reason]. Its unique structure and functional groups may offer novel therapeutic opportunities, such as targeting specific biological pathways or interacting with certain receptors. Further research is needed to evaluate its efficacy, safety, and potential side effects in treating various diseases.
Used in Organic Synthesis:
In the field of organic synthesis, trans-3'-Oxo-spiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxylic acid can be used as a building block or intermediate for the synthesis of more complex molecules. Its unique structure and functional groups may facilitate the development of new synthetic routes or the creation of novel compounds with desired properties.
Used in Material Science:
Trans-3'-Oxo-spiro[cyclohexane-1,1'(3'H)-isobenzofuran]-4-carboxylic acid may also find applications in material science, where its unique structure and functional groups could contribute to the development of new materials with specific properties. For example, it could be used in the design of polymers, coatings, or other materials with tailored characteristics for various applications.

Check Digit Verification of cas no

The CAS Registry Mumber 328233-08-5 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, 0 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 328233-08:
(8*3)+(7*2)+(6*8)+(5*2)+(4*3)+(3*3)+(2*0)+(1*8)=125
125 % 10 = 5
So 328233-08-5 is a valid CAS Registry Number.

328233-08-5SDS

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-oxospiro[isobenzofuran-1(3H),1'-cyclohexane]-4'-carboxylic acid

1.2 Other means of identification

Product number -
Other names TRANS-3'-OXO-SPIRO[CYCLOHEXANE-1,1'(3'H)-ISOBENZOFURAN]-4-CARBOXYLICACID

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:328233-08-5 SDS

328233-08-5Relevant 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.

Syntheses and structure-activity relationships of novel, potent, and selective trans-2-[3-oxospiro[isobenzofuran-1(3H),1′-cyclohexan]-4′-yl]benzimidazole NPY Y5 receptor antagonists

Ogino, Yoshio,Ohtake, Norikazu,Nagae, Yoshikazu,Matsuda, Kenji,Ishikawa, Makoto,Moriya, Minoru,Kanesaka, Maki,Mitobe, Yuko,Ito, Junko,Kanno, Tetsuya,Ishihara, Akane,Iwaasa, Hisashi,Ohe, Tomoyuki,Kanatani, Akio,Fukami, Takehiro

scheme or table, p. 4997 - 5001 (2009/06/30)

Syntheses and structure-activity relationships of a novel class of 2-[3-oxospiro[isobenzofuran-1(3H),1′-cyclohexan]-4′-yl]benzimidazole NPY Y5 receptor antagonists are described. Optimization of the lead compound 2a by incorporating substituents into the 5-position or into both the 5- and 6-positions of the benzimidazole core part led to the identification of 5-(5-methyl-1,2,4-oxadiazol-2-yl)benzimidazole (2r: IC50 = 3.3 nM) and 5-(2-methyltetrazol-5-yl)benzimidazole (2u: IC50 = 5.9 nM), both of which are potent, selective, and orally bioavailable Y5 receptor antagonists. Crown Copyright

Synthesis and evaluation of a spiro-isobenzofuranone class of histamine H3 receptor inverse agonists

Jitsuoka, Makoto,Tsukahara, Daisuke,Ito, Sayaka,Tanaka, Takeshi,Takenaga, Norihiro,Tokita, Shigeru,Sato, Nagaaki

scheme or table, p. 5101 - 5106 (2009/05/07)

Spiro-isobenzofuranones 1a and 1b were discovered as potent, selective, and brain-penetrable non-imidazole H3 receptor inverse agonists. Our corporate sample collection was screened to identify 2a as a lead. Recognizing the right-hand portion of 2a as an essential pharmacophore, an extensive screen of the left-hand piperidine portion was carried out to yield the potent spiro-derivatives 2t-x. Spiro-isobenzofuranone 2x, the most potent among the derivatives, was converted to the corresponding amide 1a, which possessed dramatically improved H3 activity (IC50 = 0.72 nM; more than 20-fold improvement over 2x). Further elaboration led to the identification of 1b, a 5-methoxy derivative with an IC50 of 0.54 nM. Our studies demonstrated that derivatives 1a and 1b to be potent, selective, and brain-penetrable H3 inverse agonists.

Novel spiro compounds

-

, (2008/06/13)

Compounds of the general formula (I): wherein Ar1 represents optionally substituted aryl or heteroaryl; n represents 0 or 1; T, U, V, and W each independently represent nitrogen atom or optionally substituted methine group, where at least two of them represent the said methine group; X represents methine or hydroxy substituted methine; Y represents an optionally substituted imino or oxygen atom are described and claimed. These novel spiro compounds are useful as neuropeptide Y receptor antagonists and as agents for the treatment of various kinds of cardiovascular disorders, central nervous system disorders, metabolic diseases and the like.

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