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1229337-32-9

(1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid is a complex organic molecule with a unique structure that features a cyclohexyl group, a ureido group, and a carboxylic acid group, among other functional groups. It is a derivative of azabicyclo[3.1.0]hexane and possesses multiple chiral centers, which means it can exist in several different stereoisomeric forms. The specific chemical and biological properties of this compound would be determined by its stereochemistry and the substituents attached to the molecule. Due to its intricate structure and functional groups, it may have potential applications in pharmaceuticals or chemical research.

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  • (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylmethyl)cyclohexyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

    Cas No: 1229337-32-9

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  • (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

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  • (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

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  • (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

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  • (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid

    Cas No: 1229337-32-9

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  • 1229337-32-9 Structure

  • Basic information

    1. Product Name: (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
    2. Synonyms: (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid;Narlaprevir intermediate
    3. CAS NO:1229337-32-9
    4. Molecular Formula: C26H45N3O6S
    5. Molecular Weight: 527.717
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 1229337-32-9.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: (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid(CAS DataBase Reference)
    10. NIST Chemistry Reference: (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid(1229337-32-9)
    11. EPA Substance Registry System: (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid(1229337-32-9)

  • 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: 1229337-32-9(Hazardous Substances Data)

1229337-32-9 Usage

Uses

Used in Pharmaceutical Industry:
(1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid is used as a potential pharmaceutical compound for its unique structure and functional groups. The presence of a cyclohexyl group, ureido group, and carboxylic acid group may contribute to its interaction with biological targets, making it a candidate for the development of new drugs.
Used in Chemical Research:
In the field of chemical research, (1R,2S,5S)-3-((S)-2-(3-(1-(tert-butylsulfonylMethyl)cyclohexyl)ureido)-3,3-diMethylbutanoyl)-6,6-diMethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid serves as a subject of study for understanding the effects of stereochemistry on chemical properties and reactivity. Its multiple chiral centers and functional groups make it an interesting molecule for exploring the relationship between structure and function in organic chemistry.

Check Digit Verification of cas no

The CAS Registry Mumber 1229337-32-9 includes 10 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 7 digits, 1,2,2,9,3,3 and 7 respectively; the second part has 2 digits, 3 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 1229337-32:
(9*1)+(8*2)+(7*2)+(6*9)+(5*3)+(4*3)+(3*7)+(2*3)+(1*2)=149
149 % 10 = 9
So 1229337-32-9 is a valid CAS Registry Number.

1229337-32-9Relevant articles and documents

ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF β-AMINO-α- HYDROXY AMIDES

-

, (2011/02/24)

Processes useful for the preparation of a Compound of Formula I: Formula (I). Intermediates useful for the preparation of the compound of Formula I, and processes useful for preparing said intermediates are disclosed.

Potent ketoamide inhibitors of HCV NS3 protease derived from quaternized P1 groups

Venkatraman, Srikanth,Velazquez, Francisco,Wu, Wanli,Blackman, Melissa,Madison, Vincent,Njoroge, F. George

scheme or table, p. 2151 - 2155 (2010/06/19)

Blood borne hepatitis C infections are the primary cause for liver cirrhosis and hepatocellular carcinoma. HCV NS3 protease, a pivotal enzyme in the replication cycle of HCV virus has been the primary target for development of new drug candidates. Boceprevir and telaprevir are two novel ketoamide derived inhibitors that are currently undergoing phase-III clinical trials. These inhibitors include ketoamide functionality as serine trap and have an acidic alpha-ketoamide center that undergoes epimerization under physiological conditions. Our initial attempts to arrest this epimerization by introducing quaternary amino acids at P1 had resulted in significantly diminished activity. In this manuscript we describe alpha quaternized P1 group that result in potent inhibitors in the enzyme assay and demonstrate cellular activity comparable to boceprevir.

Discovery of narlaprevir (SCH 900518): A potent, second generation HCV NS3 serine protease inhibitor

Arasappan, Ashok,Bennett, Frank,Bogen, Stephane L.,Venkatraman, Srikanth,Blackman, Melissa,Chen, Kevin X.,Hendrata, Siska,Huang, Yuhua,Huelgas, Regina M.,Nair, Latha,Padilla, Angela I.,Pan, Weidong,Pike, Russell,Pinto, Patrick,Ruan, Sumei,Sannigrahi, Mousumi,Velazquez, Francisco,Vibulbhan, Bancha,Wu, Wanli,Yang, Weiying,Saksena, Anil K.,Girijavallabhan, Viyyoor,Shih, Neng-Yang,Kong, Jianshe,Meng, Tao,Jin, Yan,Wong, Jesse,McNamkra, Paul,Prongay, Andrew,Madison, Vincent,Piwinski, John J.,Cheng, Kuo-Chi,Morrison, Richard,Malcolm, Bruce,Tong, Xiao,Ralston, Robert,Njoroge, F. George

scheme or table, p. 64 - 69 (2010/12/29)

Boceprevir (SCH 503034), 1, a novel HCV NS3 serine protease inhibitor discovered in our laboratories, is currently undergoing phase III clinical trials. Detailed investigations toward a second generation protease inhibitor culminated in the discovery of narlaprevir (SCH 900518), 37, with improved potency (～10-fold over 1), pharmacokinetic profile and physicochemical characteristics, currently in phase II human trials. Exploration of synthetic sequence for preparation of 37 resulted in a route that required no silica gel purification for the entire synthesis.

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