Bradykinin - Moligand™, 10mM in DMSO , Agonist of B 1 receptor;Agonist of B 2 receptor, CAS No.58-82-2, Agonist of B 1 receptor;Agonist of B 2 receptor

CAS: 58-82-2 Cat. No.: B424921 Fórmula: C₅₀H₇₃N₁₅O₁₁ Peso molecular: 1060.21 Número CE: 200-398-8

GRAU & PUREZA Moligand™, 10mM in DMSO

Synonyms

CHEBI:3165 | (bradykinin triacetate)2-(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonyl}-amino)-acetylamino]-3-phenyl-propionylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propiony

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

Bradykinin is an active peptide that is generated by the kallikrein-kinin system. It is a inflammatory mediator and also recognized as a neuromediator and regulator of several vascular and renal functions.

Especificações

Sinónimos

CHEBI:3165 | (bradykinin triacetate)2-(2-{[1-(2-{2-[2-({1-[1-(2-Amino-5-guanidino-pentanoyl)-pyrrolidine-2-carbonyl]-pyrrolidine-2-carbonyl}-amino)-acetylamino]-3-phenyl-propionylamino}-3-hydroxy-propionyl)-pyrrolidine-2-carbonyl]-amino}-3-phenyl-propiony

Especificações e pureza

Moligand™, 10mM in DMSO

Mecanismos bioquímicos e fisiológicos

Endogenous bradykinin receptor agonist that displays selectivity for B2over B1receptors. Proinflammatory peptide.

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

AGONIST

Mecanismo de ação

Agonist of B 1 receptor;Agonist of B 2 receptor

Nomes e identificadores

Pubchem Sid

528774630

Sorrisos canónicos

C1CC(N(C1)C(=O)C2CCCN2C(=O)C(CCCN=C(N)N)N)C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)NC(CO)C(=O)N4CCCC4C(=O)NC(CC5=CC=CC=C5)C(=O)NC(CCCN=C(N)N)C(=O)O

IUPAC Name

(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[2-[[(2S)-1-[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid

InChIKey

QXZGBUJJYSLZLT-FDISYFBBSA-N

INCHI

1S/C50H73N15O11/c51-32(16-7-21-56-49(52)53)45(72)65-25-11-20-39(65)47(74)64-24-9-18-37(64)43(70)58-28-40(67)59-34(26-30-12-3-1-4-13-30)41(68)62-36(29-66)46(73)63-23-10-19-38(63)44(71)61-35(27-31-14-5-2-6-15-31)42(69)60-33(48(75)76)17-8-22-57-50(54)55/h1-6,12-15,32-39,66H,7-11,16-29,51H2,(H,58,70)(H,59,67)(H,60,69)(H,61,71)(H,62,68)(H,75,76)(H4,52,53,56)(H4,54,55,57)/t32-,33-,34-,35-,36-,37-,38-,39-/m0/s1

SMILES isoméricas

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)N)C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CO)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

CAS alternativo

58-82-2,5979-11-3 (triacetate (salt))

Termos de entrada MeSH

Arg Pro Pro Gly Phe Ser Pro Phe Arg;Arg-Pro-Pro-Gly-Phe-Ser-Pro-Phe-Arg;Bradykinin;Bradykinin Acetate, (9-D-Arg)-Isomer;Bradykinin Diacetate;Bradykinin Hydrochloride;Bradykinin Triacetate;Bradykinin, (1-D-Arg)-Isomer;Bradykinin, (2-D-Pro)-Isomer;Bradykini

Peso molecular

1060.21

Reaxy-Rn

24710068

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24710068&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Phenylalanine and derivatives Proline and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Fatty amides Tertiary carboxylic acid amides Secondary carboxylic acid amides Amino acids Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Primary alcohols Organic oxides Carbonyl compounds Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alpha-oligopeptide - Phenylalanine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha-amino acid - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Monocyclic benzene moiety - Fatty acyl - Benzenoid - Fatty amide - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Guanidine - Amino acid - Azacycle - Organoheterocyclic compound - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Carboximidamide - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Alcohol - Primary aliphatic amine - Organic oxide - Hydrocarbon derivative - Primary amine - Primary alcohol - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: 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: Bradykinin [KO:K03898]

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

Alvos associados (humanos)

BDKRB2 Tclin B2 bradykinin receptor (0 Activities)

Discover Target: BDKRB2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

BDKRB1 Tchem B1 bradykinin receptor (0 Activities)

Discover Target: BDKRB1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

ACE Tclin Angiotensin-converting enzyme (1423 Activities)

Discover Target: ACE

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

BDKRB2 Tclin Bradykinin B2 receptor (3970 Activities)

Discover Target: BDKRB2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Bdkrb1 Bradykinin B1 receptor (77 Activities)

Discover Target: Bdkrb1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium falciparum (966862 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cavia porcellus (23802 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Canis familiaris (36305 Activities)

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Sus scrofa (849 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Oryctolagus cuniculus (11301 Activities)

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Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GCN5 Histone acetyltransferase GCN5 (89 Activities)

Discover Target: GCN5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium gallinaceum (527 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 1060.200 g/mol
• XLogP3: -4.800
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 27
• Exact Mass: 1059.56 Da
• Monoisotopic Mass: 1059.56 Da
• Topological Polar Surface Area: 419.000 Ų
• Heavy Atom Count: 76
• Formal Charge: 0
• Complexity: 2080.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• 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: 1