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    Y27632

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    2D Structure
    Also known as: 146986-50-7, Y-27632, Y27632, Y 27632, Cyclohexanecarboxamide, 4-[(1r)-1-aminoethyl]-n-4-pyridinyl-, trans-, 4-[(1r)-1-aminoethyl]-n-pyridin-4-ylcyclohexane-1-carboxamide
    Molecular Formula
    C14H21N3O
    Molecular Weight
    247.34  g/mol
    InChI Key
    IYOZTVGMEWJPKR-VOMCLLRMSA-N
    FDA UNII
    0X370ROP6H
    Y-27632 is an inhibitor of Rho-associated protein kinase. It inhibits calcium sensitization to affect smooth muscle relaxation.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    4-[(1R)-1-aminoethyl]-N-pyridin-4-ylcyclohexane-1-carboxamide
    2.1.2 InChI
    InChI=1S/C14H21N3O/c1-10(15)11-2-4-12(5-3-11)14(18)17-13-6-8-16-9-7-13/h6-12H,2-5,15H2,1H3,(H,16,17,18)/t10-,11?,12?/m1/s1
    2.1.3 InChI Key
    IYOZTVGMEWJPKR-VOMCLLRMSA-N
    2.1.4 Canonical SMILES
    CC(C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
    2.1.5 Isomeric SMILES
    C[C@H](C1CCC(CC1)C(=O)NC2=CC=NC=C2)N
    2.2 Other Identifiers
    2.2.1 UNII
    0X370ROP6H
    2.3 Synonyms
    2.3.1 MeSH Synonyms

    1. N-(4-pyridyl)-4-(1-aminoethyl)cyclohexanecarboxamide

    2. Y 27632

    3. Y 27632, (4(r)-trans)-isomer

    4. Y 27632, (4(s)-trans)-isomer

    5. Y 27632, (trans)-isomer

    6. Y 27632, Dihydrochloride, (4(r)-trans)-isomer

    7. Y-27632

    8. Y27632

    2.3.2 Depositor-Supplied Synonyms

    1. 146986-50-7

    2. Y-27632

    3. Y27632

    4. Y 27632

    5. Cyclohexanecarboxamide, 4-[(1r)-1-aminoethyl]-n-4-pyridinyl-, Trans-

    6. 4-[(1r)-1-aminoethyl]-n-pyridin-4-ylcyclohexane-1-carboxamide

    7. Y-27632, Free Base

    8. 4-[(1r)-1-aminoethyl]-n-(pyridin-4-yl)cyclohexane-1-carboxamide

    9. 0x370rop6h

    10. Chebi:75393

    11. (r)-trans-4-(1-aminoethyl)-n-(4-pyridyl) Cyclohexanecarboxamide

    12. 521059-79-0

    13. (1r,4r)-4-((r)-1-aminoethyl)-n-(pyridin-4-yl)cyclohexanecarboxamide

    14. (r)-(+)-trans-n-(4-pyridyl)-4-(1-aminoethyl)-cyclohexanecarboxamide

    15. Ximelegatran

    16. (r)-4-(1-aminoethyl)-n-(pyridin-4-yl)cyclohexanecarboxamide

    17. Trans-4-((r)-1-aminoethyl)-n-(pyridin-4-yl)cyclohexanecarboxamide

    18. Y27

    19. Unii-0x370rop6h

    20. (+)-(r)-trans-4-(1-aminoethyl)-n-(4-pyridyl)cyclohexanecarboxamide

    21. [+]-[r]-trans-4-[1-aminoethyl]-n-[4-pyridyl]cyclohexanecarboxamide

    22. Cyclohexanecarboxamide, 4-(1-aminoethyl)-n-4-pyridinyl-, [4(r)-trans]-

    23. 2etr

    24. 2gnf

    25. 2gnj

    26. Cyclohexanecarboxamide, 4-((1r)-1-aminoethyl)-n-4-pyridinyl-, Trans-

    27. Cyclohexanecarboxamide, 4-(1-aminoethyl)-n-4-pyridinyl-, (4(r)-trans)-

    28. Iyoztvgmewjpkr-vomcllrmsa-n

    29. 1q8t

    30. Biomolki_000071

    31. Y27632 Dihydrochloride

    32. Biomolki2_000075

    33. Cbiol_001962

    34. Bspbio_001234

    35. Kbiogr_000574

    36. Kbioss_000574

    37. Schembl598993

    38. Chembl559147

    39. Gtpl5290

    40. Rock Inhibitor, Y-27632

    41. Schembl1980406

    42. Schembl7804373

    43. Chembl1083134

    44. Chembl1188380

    45. Dtxsid7043740

    46. Schembl13970844

    47. Schembl18935698

    48. Y-27632dihydrochloride

    49. Bdbm14029

    50. Bdbm86729

    51. Chebi:92773

    52. Kbio2_000574

    53. Kbio2_003142

    54. Kbio2_005710

    55. Kbio3_001027

    56. Kbio3_001028

    57. 4-[(1r)-1-aminoethyl]-n-(4-pyridyl)cyclohexanecarboxamide

    58. Bcpp000008

    59. Bio1_000248

    60. Bio1_000737

    61. Bio1_001226

    62. Bio2_000457

    63. Bio2_000937

    64. Hms1362n15

    65. Hms1792n15

    66. Hms1990n15

    67. Hms3403n15

    68. Y 27632 [who-dd]

    69. Bdbm50319631

    70. Nsc751297

    71. S6390

    72. (1r,4r)-4-[(1r)-1-aminoethyl]-n-(pyridin-4-yl)cyclohexane-1-carboxamide

    73. Akos026750241

    74. Akos028109253

    75. Am81233

    76. Ccg-204428

    77. Cs-0131

    78. Db08756

    79. Nsc-751297

    80. Idi1_002212

    81. Smp2_000199

    82. Ncgc00092276-02

    83. Ncgc00092276-03

    84. Ncgc00092276-04

    85. Ncgc00092276-05

    86. Ncgc00092276-06

    87. Ncgc00092276-07

    88. Ncgc00092276-08

    89. Ncgc00092276-09

    90. Ncgc00092276-10

    91. Ncgc00387412-04

    92. As-77772

    93. Hy-10071

    94. J888.082d

    95. Cas_146986-50-7

    96. Ns00073644

    97. A25646

    98. J-008296

    99. J-525164

    100. Q6584634

    101. Brd-k44084986-001-03-9

    102. Brd-k44084986-300-02-7

    103. (r)-trans-4-(1-aminoethyl)-n-(4-pyridyl)cyclohexanecarboxamide

    104. Trans-4-[(1r)-1-aminoethyl]-n-(pyridin-4-yl)cyclohexanecarboxamide

    105. Trans-4-[(1r)-1-aminoethyl]-n-pyridin-4-ylcyclohexanecarboxamide

    106. (1r,4r)-4-((r)-1-aminoethyl)-n-(pyridin-4-yl)cyclohexane-1-carboxamide

    107. (r)-(+)-trans-4-(1-aminoethyl)-n-(4-pyridyl)cyclohexanecarboxamide

    108. 4.beta.-((1r)-1-aminoethyl)-n-(4-pyridinyl)cyclohexane-1.alpha.-carboxamide

    109. Cyclohexanecarboxamide, 4-[(1r)-1-aminoethyl]-n-4-pyridinyl-, Trans- (9ci)

    110. Trans-4-[(1r)-1-aminoethyl]-n-4-pyridinylcyclohexanecar Boxamide Dihydrochloride

    2.4 Create Date
    2005-06-08
    3 Chemical and Physical Properties
    Molecular Weight 247.34 g/mol
    Molecular Formula C14H21N3O
    XLogP30.9
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count3
    Rotatable Bond Count3
    Exact Mass g/mol
    Monoisotopic Mass g/mol
    Topological Polar Surface Area68
    Heavy Atom Count18
    Formal Charge0
    Complexity268
    Isotope Atom Count0
    Defined Atom Stereocenter Count1
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
    4 Pharmacology and Biochemistry
    4.1 MeSH Pharmacological Classification

    Enzyme Inhibitors

    Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

    Muscle Relaxants, Central

    A heterogeneous group of drugs used to produce muscle relaxation, excepting the neuromuscular blocking agents. They have their primary clinical and therapeutic uses in the treatment of muscle spasm and immobility associated with strains, sprains, and injuries of the back and, to a lesser degree, injuries to the neck. They have been used also for the treatment of a variety of clinical conditions that have in common only the presence of skeletal muscle hyperactivity, for example, the muscle spasms that can occur in MULTIPLE SCLEROSIS. (From Smith and Reynard, Textbook of Pharmacology, 1991, p358) (See all compounds classified as Muscle Relaxants, Central.)

    Antihypertensive Agents

    Drugs used in the treatment of acute or chronic vascular HYPERTENSION regardless of pharmacological mechanism. Among the antihypertensive agents are DIURETICS; (especially DIURETICS, THIAZIDE); ADRENERGIC BETA-ANTAGONISTS; ADRENERGIC ALPHA-ANTAGONISTS; ANGIOTENSIN-CONVERTING ENZYME INHIBITORS; CALCIUM CHANNEL BLOCKERS; GANGLIONIC BLOCKERS; and VASODILATOR AGENTS. (See all compounds classified as Antihypertensive Agents.)