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    Angiotensin (1-7)

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    2D Structure
    Also known as: 51833-78-4, Angiotensin 1-7, Asp-arg-val-tyr-ile-his-pro, Txa127, Angiotensin i (1-7), Angiotensin-(1-7)
    Molecular Formula
    C41H62N12O11
    Molecular Weight
    899.0  g/mol
    InChI Key
    PVHLMTREZMEJCG-GDTLVBQBSA-N
    Therapeutic Angiotensin-(1-7) is a synthetic heptapeptide identical to endogenous angiotensin-(1-7) with vasodilator and antiproliferative activities. Therapeutic angiotensin 1-7 may inhibit cyclooxygenase 2 (COX-2) and the production of proinflammatory prostaglandins and may activate the angiotensin-(1-7) receptor Mas, resulting in diminished tumor cell proliferation. Activation of the angiotensin-(1-7) receptor Mas, a G-protein coupled, seven transmembrane protein, may down-regulate the phosphorylation and activation of Erk1 and Erk2 in the Erk1/Erk2 MAPK signaling pathway. In the renin-angiotensin system, the vasodilating activity of angiotensin- (1-7), hydrolysed from angiotensin II by the type I transmembrane metallopeptidase and carboxypeptidase angiotensin converting enzyme 2 (ACE2) in vivo, counteracts the vasoconstricting activity of angiotensin II.
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid
    2.1.2 InChI
    InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1
    2.1.3 InChI Key
    PVHLMTREZMEJCG-GDTLVBQBSA-N
    2.1.4 Canonical SMILES
    CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N
    2.1.5 Isomeric SMILES
    CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. Ang I (1-7)

    2. Angiotensin 1-7

    3. Angiotensin I (1-7)

    4. Angiotensin Ii (1-7)

    5. Angiotensin Ii (1-7) Heptapeptide

    6. Angiotensin Ii-(1-7)

    7. Angiotensin-(1-7)

    8. Angiotensin-i (1-7)

    9. Txa-127

    10. Txa127

    2.2.2 Depositor-Supplied Synonyms

    1. 51833-78-4

    2. Angiotensin 1-7

    3. Asp-arg-val-tyr-ile-his-pro

    4. Txa127

    5. Angiotensin I (1-7)

    6. Angiotensin-(1-7)

    7. Angiotensin Ii (1-7) Heptapeptide

    8. Angiotensin Ii (1-7)

    9. 8-des-phe-angiotensin Ii

    10. Ang-(1-7)

    11. Txa-127

    12. 39386-80-6

    13. Angiotensin I/ii (1-7)

    14. Chebi:55438

    15. Ile(5)-angiotensin Ii (1-7)

    16. L-alpha-aspartyl-l-arginyl-l-valyl-l-tyrosyl-l-isoleucyl-l-histidyl-l-proline

    17. L-aspartyl-l-arginyl-l-valyl-l-tyrosyl-l-isoleucyl-l-histidyl-l-proline

    18. (2s)-1-[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-3-carboxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1h-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic Acid

    19. Unii-ij3fuk8mof

    20. Angiotensin, Canine, Rat

    21. Human Angiotensin-(1-7)

    22. 1-7-human Angiotensin Ii

    23. Angiotensin Ii, Des-phe(8)-

    24. Txa 127

    25. Ang-1-7 Acetate

    26. Angiotensin(1-7)

    27. Mfcd00153513

    28. Sh-heptapeptide-13

    29. Angiotensini(1-7)

    30. Bf-angiotensin 1-7

    31. Angiotensin Ii, Des-phenylalanine(8)-

    32. Ij3fuk8mof

    33. Angiotensin, Canine, Ra

    34. Angiotensin I/ii(1-7)

    35. Ang 1-7

    36. Angiotensin Fragment 1-7

    37. 5-ile-angiotensin-(1-7)

    38. Angiotensin Peptide (1-7)

    39. Gtpl582

    40. Ang(1-7)

    41. Human Angiotensin Ii (1-7)

    42. Angiotensin Ii, 5-l-isoleucine-8-de-l-phenylalanine-

    43. Gtpl5578

    44. [ile5]angiotensin I (1-7)

    45. Angiotensin 1-7 Acetate

    46. Chembl3545347

    47. Schembl15926158

    48. Bdbm85556

    49. [125i]ang-(1-7)

    50. Txa127; Ang-(1-7)

    51. Zinc96077632

    52. Akos024456667

    53. Cs-3413

    54. Db11720

    55. Angiotensin Ii, 8-de-l-phenylalanine-

    56. Ncgc00167219-01

    57. As-76407

    58. Hy-12403

    59. [125i]angiotensin-(1-7) (human, Mouse, Rat)

    60. 833a784

    61. A901408

    62. Angiotensin I/ii Fragment 1-7 Trifluoroacetate Salt

    63. Q27074464

    64. Aspartyl-argininyl-valinyl-tyrosinyl-isoleucinyl-histidinyl-proline;angiotensin 1-7

    65. (2s)-1-[(2s)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-amino-4-hydroxy-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(3h-imidazol-4-yl)propanoyl]pyrrolidine-2-carboxylic Acid

    66. (s)-1-((6s,9s,12s,15s,18s)-18-((1h-imidazol-4-yl)methyl)-1-amino-6-((s)-2-amino-3-carboxypropanamido)-15-sec-butyl-12-(4-hydroxybenzyl)-1-imino-9-isopropyl-7,10,13,16-tetraoxo-2,8,11,14,17-pentaazanonadecane)pyrrolidine-2-carboxylic Acid

    2.3 Create Date
    2005-08-08
    3 Chemical and Physical Properties
    Molecular Weight 899.0 g/mol
    Molecular Formula C41H62N12O11
    XLogP3-3
    Hydrogen Bond Donor Count12
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count25
    Exact Mass898.46610084 g/mol
    Monoisotopic Mass898.46610084 g/mol
    Topological Polar Surface Area380 Ų
    Heavy Atom Count64
    Formal Charge0
    Complexity1660
    Isotope Atom Count0
    Defined Atom Stereocenter Count8
    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

    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.)

    Vasodilator Agents

    Drugs used to cause dilation of the blood vessels. (See all compounds classified as Vasodilator Agents.)