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    Isosteres: 1. Univalent Atoms

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    jfsantamariame
    Bioisosteres are structurally dissimilar groups or substituents that produce broadly similar biological properties to another structure. The document lists various examples of bioisosteres including: 1. Univalent, bivalent, trivalent, and tetravalent atom replacements such as -CH3 = -NH2, -CH2- = -NH-, and -CH= = -N=. 2. Ring structure equivalents like nitrogen-containing rings. 3. Functional group replacements like -H = -F, carbonyl = nitrile, and carboxylic acid = sulfonamide or phosphonamide. 4. Other equivalents involving halogen, carbon, and spacer groups.

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    Isosteres: 1. Univalent Atoms

    Uploaded by

    jfsantamariame
    87 views2 pages
    Bioisosteres are structurally dissimilar groups or substituents that produce broadly similar biological properties to another structure. The document lists various examples of bioisosteres including: 1. Univalent, bivalent, trivalent, and tetravalent atom replacements such as -CH3 = -NH2, -CH2- = -NH-, and -CH= = -N=. 2. Ring structure equivalents like nitrogen-containing rings. 3. Functional group replacements like -H = -F, carbonyl = nitrile, and carboxylic acid = sulfonamide or phosphonamide. 4. Other equivalents involving halogen, carbon, and spacer groups.

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    BioisosteresHandout

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    Bioisosteres are structurally dissimilar groups or substituents that produce broadly similar biological properties to another structure. The document lists various examples of bioisosteres including: 1. Univalent, bivalent, trivalent, and tetravalent atom replacements such as -CH3 = -NH2, -CH2- = -NH-, and -CH= = -N=. 2. Ring structure equivalents like nitrogen-containing rings. 3. Functional group replacements like -H = -F, carbonyl = nitrile, and carboxylic acid = sulfonamide or phosphonamide. 4. Other equivalents involving halogen, carbon, and spacer groups.

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    © All Rights Reserved
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    87 views2 pages

    Isosteres: 1. Univalent Atoms

    Uploaded by

    jfsantamariame
    Bioisosteres are structurally dissimilar groups or substituents that produce broadly similar biological properties to another structure. The document lists various examples of bioisosteres including: 1. Univalent, bivalent, trivalent, and tetravalent atom replacements such as -CH3 = -NH2, -CH2- = -NH-, and -CH= = -N=. 2. Ring structure equivalents like nitrogen-containing rings. 3. Functional group replacements like -H = -F, carbonyl = nitrile, and carboxylic acid = sulfonamide or phosphonamide. 4. Other equivalents involving halogen, carbon, and spacer groups.

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    Bioisosteres/Isosteres

    Bioisosteres=

    Isosteres=

    Isosteres:

    1. Univalent atoms

    a) -CH 3 = -NH 2 = -OH = -F = -Cl = -SH b) -Cl = -SH

    c) -Br = i-Pr d) -I = t-Bu

    2. Bivalent atoms

    a) -CH 2- = -NH- = -O- =-S- = -Se-

    O O O O
    b) = =
    C = C C C
    CH 2 N O S
    H

    3. Trivalent atoms

    -CH= = -N=

    4. Tetravalent atoms

    a)
    C = Si b) =C= = =N=

    5. Ring equivalents

    a) H H
    S O N O O N S
    = = = = = N = =
    N N N

    b) N N
    = = N

    H
    c) O N S
    = = =
    Bioisosteres (less similar structurally)

    1. Hydrogen

    -H = -F

    2. Carbonyl group

    NC CN OH
    O O O O CN N
    C O O O
    = = = = = = =
    C S S S C C
    C N N H
    R

    3. Carboxylic acid group

    O H
    O O O O O O O O OH O OH O O N N
    = N = OH
    = S = S = S = P = P = =
    C C N
    OH NHR OH OH NHR OEt NH-CN N
    OH O

    4. Amide group

    O O O OH O O CH 3
    = = = N
    = = =
    N N N N O N
    H H H H H N
    H

    5. Ester group

    O N O N N
    = N =
    O O
    O

    6. Hydroxy group

    O O O O
    = S = -NH-CN = -CH(CN) 2
    OH = NH N R = -CH2OH =
    R N NH 2
    H H

    7. Halogen

    X= -CF3 = -CN = -N(CN)2 = -C(CN)3

    8. Ring equivalents 9. Spacer group


    a)
    = b) H H
    O N -(CH 2) 3- =
    N =
    NO 2 N NH2

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