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    CAS 149690-12-0

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    CAS 149690-12-0
    Also known as: 149690-12-0, (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hydrochloride, (2r,4s)-4-amino-5-biphenyl-4-yl-2-methylpentanoic acid ethyl ester hydrochloride, (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hcl salt, Ethyl (2r,4s)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride, (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate hcl
    Molecular Formula
    C20H26ClNO2
    Molecular Weight
    347.9  g/mol
    InChI Key
    MYJTZLYRAWUSLB-WSCVZUBPSA-N
    1 2D Structure

    CAS 149690-12-0

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    ethyl (2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride
    2.1.2 InChI
    InChI=1S/C20H25NO2.ClH/c1-3-23-20(22)15(2)13-19(21)14-16-9-11-18(12-10-16)17-7-5-4-6-8-17;/h4-12,15,19H,3,13-14,21H2,1-2H3;1H/t15-,19+;/m1./s1
    2.1.3 InChI Key
    MYJTZLYRAWUSLB-WSCVZUBPSA-N
    2.1.4 Canonical SMILES
    CCOC(=O)C(C)CC(CC1=CC=C(C=C1)C2=CC=CC=C2)N.Cl
    2.1.5 Isomeric SMILES
    CCOC(=O)[C@H](C)C[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)N.Cl
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. 149690-12-0

    2. (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate Hydrochloride

    3. (2r,4s)-4-amino-5-biphenyl-4-yl-2-methylpentanoic Acid Ethyl Ester Hydrochloride

    4. (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate Hcl Salt

    5. Ethyl (2r,4s)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoate;hydrochloride

    6. (2r,4s)-ethyl 5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoate Hcl

    7. Mfcd27955986

    8. Schembl597844

    9. Ambz0397

    10. Zfa69012

    11. Akos027324882

    12. Am85595

    13. Ac-28985

    14. Cs-13047

    15. Cs-0009332

    16. A854857

    17. (2r,4s)-4-amino-5-(biphenyl-4-yl)-2-methylpentanoic Acid Ethyl Ester Hcl

    18. (2r,4s)-ethyl 4-amino-5-(biphenyl-4-yl)-2-methylpentanoate Hydrochloride

    19. (2r,4s)-4-amino-5-biphenyl-4-yl-2-methyl-pentanoic Acid Ethyl Ester Hydrochloride

    20. (2r,4s)-4-amino-5-biphenyl-4-yl-2-methyl-pentanoic Acid Ethyl Ester Hydrochloride Salt

    21. (2r,4s)-ethyl 4-amino-5-(biphenyl-4-yl)-2-methylpentanoate Hydrochloride Salt

    22. (2r,4s)-ethyl5-([1,1'-biphenyl]-4-yl)-4-amino-2-methylpentanoatehydrochloride

    23. Ahu-377; (2r,4s)-4-amino-5-(biphenyl-4-yl)-2-methylpentanoic Acid Ethyl Ester Hydrochloride

    2.3 Create Date
    2008-11-03
    3 Chemical and Physical Properties
    Molecular Weight 347.9 g/mol
    Molecular Formula C20H26ClNO2
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count8
    Exact Mass347.1652068 g/mol
    Monoisotopic Mass347.1652068 g/mol
    Topological Polar Surface Area52.3 Ų
    Heavy Atom Count24
    Formal Charge0
    Complexity344
    Isotope Atom Count0
    Defined Atom Stereocenter Count2
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count2
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        Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
        Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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          Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary locat...
          Founded in 2003, Senary Chem is one of the Key High-Tech Enterprises of National Torch Plan. Senary located in National Cangzhou Lingang Economic and Technological Development Zone,Cangzhou City,Hebei Province. Senary cover an area of 67,000 square meters, and 300 professionals work there. Senary R&D organization recognized as the Hebei Provincial Engineering Technology Center is comprised of two R & D centers in Tianjin and Cangzhou, and it employs 80 experienced scientists in total. Senary focus on the development, production and sales of advanced pharmaceutical intermediates. Especially, Senary has leading technology and manufacturing capacity for diabetes drug intermediates. All intermediates of DPP4 and SGLT2 class drugs on market have been commercialized production. Senary has 150 sets of 50 ~ 8000L reactor with annual production capacity of 1,000 tons, which can handle both low and high temperature reactions within -100 ~ 240 ℃ range, all kinds of catalytic reactions within 0 ~ 5MPa pressure, and moisture and/or oxygen sensitive reactions. Senary also has expertise in chiral synthesis with leading technologies. The advanced sewage treatment system at Senery has processing capacity of 600 tons daily. Senary has an excellent team that has rich quality management experience.We have established a set of normative and perfect quality managment system,monitoring the whole process of risk assessment,R&D,transfer from pilot scale to commercial production,manufacturing,analysis and sales service. Senary will continue to dedicate on the field of pharmaceutical intermediates to provide the best service for domestic and foreign API pharmaceutical companies with high quality and timely supply of products.
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            Jiangsu Yutian Pharmaceutical Co., Ltd. is located in Dapu Pharmaceutical Zone of Lianyungang City in Jia...
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              Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are Senior R&D persons and have more than 10 years experience in the Drug R&D field. Our core competitiveness is the Process development and optimization including Route design, process optimization to industrial production,of the API and their intermediate product. According to customer demand, we are able to offer the professional and integrated service of the drug process de
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                Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are ...
                Shanghai Stepuppharm has a strong technical development troop and most of our technological backbone are Senior R&D persons and have more than 10 years experience in the Drug R&D field. Our core competitiveness is the Process development and optimization including Route design, process optimization to industrial production,of the API and their intermediate product. According to customer demand, we are able to offer the professional and integrated service of the drug process de
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