Saralasin acetate , Type-1 angiotensin II receptor antagonist, CAS No.39698-78-7, Type-1 angiotensin II receptor antagonist

CAS: 39698-78-7 Cat. No.: S671117 Molecular Weight: 990.1 PubChem CID: 11954381

Synonyms

Saralasin acetate | CHEMBL1200670 | Sarenin | [Sar1, Val5, Ala8]-Angiotensin II acetate salt hydrate, >=97% (HPLC), powder | Saralasin acetate [USAN] | N-(1-(N-(N-(N-(N-(N2-(N-Methylglycyl-L-arginyl)-L-L-valyl)-L-tyrosyl)-L-valyl)-L-histidyl)-L-prolyl)-L-

Storage

Room temperature

Specifications

Synonyms

Saralasin acetate | CHEMBL1200670 | Sarenin | [Sar1, Val5, Ala8]-Angiotensin II acetate salt hydrate, >=97% (HPLC), powder | Saralasin acetate [USAN] | N-(1-(N-(N-(N-(N-(N2-(N-Methylglycyl-L-arginyl)-L-L-valyl)-L-tyrosyl)-L-valyl)-L-histidyl)-L-prolyl)-L-

Storage

Room temperature

Action Type

ANTAGONIST

Mechanism of action

Type-1 angiotensin II receptor antagonist

Names and Identifiers

• Canonical Smiles: CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(C(C)C)C(=O)NC(CC2=CN=CN2)C(=O)N3CCCC3C(=O)NC(C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)CNC.CC(=O)O.O
• IUPAC Name: acetic acid;(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[2-(methylamino)acetyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)prop
• InChIKey: YBZYNINTWCLDQA-UHKVWXOHSA-N
• INCHI: 1S/C42H65N13O10.C2H4O2.H2O/c1-22(2)33(53-35(58)28(50-32(57)20-45-6)9-7-15-47-42(43)44)38(61)51-29(17-25-11-13-27(56)14-12-25)36(59)54-34(23(3)4)39(62)52-30(18-26-19-46-21-48-26)40(63)55-16-8-10-31(55)37(60)49-24(5)41(64)65;1-2(3)4;/h11-14,19,21-24,2
• Isomeric SMILES: C[C@@H](C(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](C(C)C)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)CNC.CC(=O)O.O
• PubChem CID: 11954381
• Molecular Weight: 990.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Tyrosine and derivatives Phenylalanine and derivatives Histidine and derivatives Valine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Amphetamines and derivatives Pyrrolidinecarboxamides Imidazolyl carboxylic acids and derivatives N-acylpyrrolidines 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Guanidines Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Not available
• Substituents: Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Histidine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Proline or derivatives - Valine or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Amphetamine or derivatives - Alpha-amino acid or derivatives - Imidazolyl carboxylic acid derivative - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-acylpyrrolidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Amino acid or derivatives - Secondary carboxylic acid amide - Amino acid - Carboxamide group - Guanidine - Secondary amine - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboxylic acid - Secondary aliphatic amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Azacycle - Carbonyl group - Amine - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y