Angiotensin II human Acetate - ≥98% , Type-1 angiotensin II receptor agonist, CAS No.68521-88-0, Type-1 angiotensin II receptor agonist

CAS: 68521-88-0 Cat. No.: A412104 Peso molecular: 1046.18(free base) PubChem CID: 172197

GRADE & PURITY ≥98%

Synonyms

4-Hydroxy-N-phenylaniline | Angiotensin II acetate [USAN] | ASP-ARG-VAL-TYR-ILE-HIS-PRO-PHE ACETATE SALT | NSC-53476 | Angiotensin II human acetate | SCHEMBL1585377 | AKOS040759453 | Angiotensin II, 5-L-isoleucine-, monoacetate (salt) | D11142 | MFCD00133

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

Angiotensin II (angII) is an octapeptide hormone which affects the activities of heart, kidney, vasculature and brain. It works via binding to specific receptors present on cell membranes.

Specifications

Sinónimos

4-Hydroxy-N-phenylaniline | Angiotensin II acetate [USAN] | ASP-ARG-VAL-TYR-ILE-HIS-PRO-PHE ACETATE SALT | NSC-53476 | Angiotensin II human acetate | SCHEMBL1585377 | AKOS040759453 | Angiotensin II, 5-L-isoleucine-, monoacetate (salt) | D11142 | MFCD00133

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

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Tipo de acción

AGONIST

Mecanismo de acción

Type-1 angiotensin II receptor agonist

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)N.CC(=O)O
• IUPAC Name: acetic acid;(3S)-3-amino-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-phenylethyl]carbamoyl]pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-oxobutanoic acid
• InChIKey: VBTZKFAHKJXHBA-PIONDTTLSA-N
• INCHI: 1S/C50H71N13O12.C2H4O2/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66;1-2(3)4/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55);1H3,(H,3,4)/t28-,33-,34-,35-,36-,37-,38-,40-,41-;/m0./s1
• Isómeros SMILES: CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(=O)O)N.CC(=O)O
• PubChem CID: 172197
• Peso molecular: 1046.18(free base)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: 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 Isoleucine and derivatives Aspartic acid and derivatives Valine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Imidazolyl carboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Guanidines Amino acids Propargyl-type 1,3-dipolar organic compounds Carboxylic acids Carboximidamides Azacyclic compounds Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Alpha-oligopeptide - Tyrosine or derivatives - Phenylalanine or derivatives - Histidine or derivatives - Isoleucine or derivatives - Aspartic acid or derivatives - Valine or derivatives - Proline or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - 3-phenylpropanoic-acid - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Pyrrolidine-2-carboxamide - Pyrrolidine carboxylic acid or derivatives - N-acylpyrrolidine - Imidazolyl carboxylic acid derivative - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty acyl - Benzenoid - N-acyl-amine - Fatty amide - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrrolidine - Imidazole - Azole - Amino acid - Secondary carboxylic acid amide - Guanidine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Peso molecular: 1106.200 g/mol
• Hydrogen Bond Donor Count: 14
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 29
• Exact Mass: 1105.56 Da
• Monoisotopic Mass: 1105.56 Da
• Topological Polar Surface Area: 446.000 Ų
• Heavy Atom Count: 79
• Formal Charge: 0
• Complexity: 2010.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3