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1404559-22-3

The chemical compound "3-{(2S,4R)-1-(tert-butoxycarbonyl)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine" is a complex organic molecule with a molecular formula of C31H44N6O4S. It features a 1,3-thiazolidine ring, a pyrrolidine ring, and a piperazine ring, with various substituents including a tert-butoxycarbonyl group, a 3-methyl-1-phenyl-1H-pyrazol-5-yl group, and a phenyl group. 3-{(2S,4R)-1-(tert-butoxycarbonyl)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine is characterized by its chiral centers, with the specific (2S,4R) configuration at the pyrrolidine ring, indicating that it has two asymmetric carbon atoms with defined stereochemistry. The compound's structure and properties make it potentially useful in pharmaceutical applications, particularly in the development of drugs targeting specific receptors or enzymes.

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  • 3-{(2S,4R)-1-(tert-butoxycarbonyl)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine

    Cas No: 1404559-22-3

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  • 3-{(2S,4R)-1-(tert-butoxycarbonyl)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine

    Cas No: 1404559-22-3

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  • 1404559-22-3 Structure

  • Basic information

    1. Product Name: 3-{(2S,4R)-1-(tert-butoxycarbonyl)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine
    2. Synonyms: 3-{(2S,4R)-1-(tert-butoxycarbonyl)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine
    3. CAS NO:1404559-22-3
    4. Molecular Formula:
    5. Molecular Weight: 526.703
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1404559-22-3.mol

  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 706.5±60.0 °C(Predicted)
    3. Flash Point: N/A
    4. Appearance: N/A
    5. Density: 1.31±0.1 g/cm3(Predicted)
    6. Refractive Index: N/A
    7. Storage Temp.: N/A
    8. Solubility: N/A
    9. CAS DataBase Reference: 3-{(2S,4R)-1-(tert-butoxycarbonyl)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine(CAS DataBase Reference)
    10. NIST Chemistry Reference: 3-{(2S,4R)-1-(tert-butoxycarbonyl)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine(1404559-22-3)
    11. EPA Substance Registry System: 3-{(2S,4R)-1-(tert-butoxycarbonyl)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]-2-pyrrolidinylcarbonyl}-1,3-thiazolidine(1404559-22-3)

  • 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: 1404559-22-3(Hazardous Substances Data)

1404559-22-3 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1404559-22-3 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,4,0,4,5,5 and 9 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1404559-22:
(9*1)+(8*4)+(7*0)+(6*4)+(5*5)+(4*5)+(3*9)+(2*2)+(1*2)=143
143 % 10 = 3
So 1404559-22-3 is a valid CAS Registry Number.

1404559-22-3Downstream Products

1404559-22-3Relevant articles and documents

Discovery and preclinical profile of teneligliptin (3-[(2S,4S)-4-[4-(3- methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl] thiazolidine): A highly potent, selective, long-lasting and orally active dipeptidyl peptidase IV inhibitor for the treatment of type 2 diabetes

Yoshida, Tomohiro,Akahoshi, Fumihiko,Sakashita, Hiroshi,Kitajima, Hiroshi,Nakamura, Mitsuharu,Sonda, Shuji,Takeuchi, Masahiro,Tanaka, Yoshihito,Ueda, Naoko,Sekiguchi, Sumie,Ishige, Takayuki,Shima, Kyoko,Nabeno, Mika,Abe, Yuji,Anabuki, Jun,Soejima, Aki,Yoshida, Kumiko,Takashina, Yoko,Ishii, Shinichi,Kiuchi, Satoko,Fukuda, Sayaka,Tsutsumiuchi, Reiko,Kosaka, Keigo,Murozono, Takahiro,Nakamaru, Yoshinobu,Utsumi, Hiroyuki,Masutomi, Naoya,Kishida, Hiroyuki,Miyaguchi, Ikuko,Hayashi, Yoshiharu

, p. 5705 - 5719 (2012/10/30)

Dipeptidyl peptidase IV (DPP-4) inhibition is suitable mechanism for once daily oral dosing regimen because of its low risk of hypoglycemia. We explored linked bicyclic heteroarylpiperazines substituted at the γ-position of the proline structure in the course of the investigation of l-prolylthiazolidines. The efforts led to the discovery of a highly potent, selective, long-lasting and orally active DPP-4 inhibitor, 3-[(2S,4S)-4-[4-(3-methyl-1-phenyl-1H-pyrazol-5- yl)piperazin-1-yl]pyrrolidin-2-ylcarbonyl]thiazolidine (8g), which has a unique structure characterized by five consecutive rings. An X-ray co-crystal structure of 8g in DPP-4 demonstrated that the key interaction between the phenyl ring on the pyrazole and the S2 extensive subsite of DPP-4 not only boosted potency, but also increased selectivity. Compound 8g, at 0.03 mg/kg or higher doses, significantly inhibited the increase of plasma glucose levels after an oral glucose load in Zucker fatty rats. Compound 8g (teneligliptin) has been approved for the treatment of type 2 diabetes in Japan.

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