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· · COA & SDS Disponível para todos os produtos · Envio no mesmo dia em itens em estoque Rebimastat , Matrix metalloproteinase-2 inhibitor, CAS No.259188-38-0, Matrix metalloproteinase-2 inhibitor
Disponível para encomenda
Synonyms
Rebimastat|Bms-275291|BMS 275291-01|BMS-275291-01|(2S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-methyl-2-[[(2S)-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]pentanamide|L-Valinamide, N-((2S)-2-mercapto-1-oxo-4-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-L-leucyl-N,3-dimethyl-|L-Valinamide, N-[(2S)-2-mercapto-1-oxo-4-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)butyl]-L-leucyl-N,3-dimethyl-|Rebimastat [USAN:INN]|(2S)-N-((1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl)-4-methyl-2-(((2S)-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl)amino)pentanamide|(2S)-N-[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]-4-methyl-2-[[(2S)-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]pentanamide|BMS 275291-01; D 2163; Rebimastat|REBIMASTAT [INN]|Rebimastat (USAN/INN)|REBIMASTAT [USAN]|REBIMASTAT [WHO-DD]|N-((2S)-2-Mercapto-1-oxo-4-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-L-leucyl-N,3-dimethyl-L-valinamide|2-[2-Mercapto-4-(3,4,4-trimethyl-2,5-dioxo-imidazolidin-1-yl)-butyrylamino]-4-methyl-pentanoic acid (2,2-dimethyl-1-methylcarbamoyl-propyl)-amide(BMS-275291)|n-((2s)-2-mercapto-1-oxo-4-(3,4,4- trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-l-leucyl-n,3- dimethyl-l-valinamide
Especificações Sinónimos
Rebimastat | Bms-275291 | BMS 275291-01 | BMS-275291-01 | (2S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-methyl-2-[[(2S)-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]pentanamide | L-Valinamide, N-((2S)-2-mercapto-1-oxo-4-(3,4,4-trimethyl-2,5-dioxo-1-imidazolidinyl)butyl)-L-leucyl-N,3-dimethyl- | L- Show more
Condições de armazenamento de armazenamento
Room temperature
Mecanismo de ação
Matrix metalloproteinase-2 inhibitor
Propriedades do produto Nomes e identificadores Sorrisos canónicos
CC(C)CC(C(=O)NC(C(=O)NC)C(C)(C)C)NC(=O)C(CCN1C(=O)C(N(C1=O)C)(C)C)S
IUPAC Name
(2S)-N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-4-methyl-2-[[(2S)-2-sulfanyl-4-(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)butanoyl]amino]pentanamide
InChIKey
GTXSRFUZSLTDFX-HRCADAONSA-N
INCHI
1S/C23H41N5O5S/c1-13(2)12-14(17(29)26-16(19(31)24-8)22(3,4)5)25-18(30)15(34)10-11-28-20(32)23(6,7)27(9)21(28)33/h13-16,34H,10-12H2,1-9H3,(H,24,31)(H,25,30)(H,26,29)/t14-,15-,16+/m0/s1
SMILES isoméricas
CC(C)C[C@@H](C(=O)N[C@H](C(=O)NC)C(C)(C)C)NC(=O)[C@H](CCN1C(=O)C(N(C1=O)C)(C)C)S
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=10216191&ln=
Dados avançados Taxonomic Classification Kingdom Organic compounds Superclass Organic acids and derivatives Classe Peptidomimetics Subclass Hybrid peptides Intermediate Tree Nodes Not available Direct Parent Hybrid peptides Alternative Parents Dipeptides Leucine and derivatives Valine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Hydantoins N-acyl ureas N-acyl amines Dicarboximides Secondary carboxylic acid amides Alkylthiols Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Carbonyl compounds Organic oxides Molecular Framework Aliphatic heteromonocyclic compounds Substituents Hybrid peptide - Alpha-dipeptide - Leucine or derivatives - Valine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Hydantoin - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Ureide - N-acyl urea - Fatty amide - Fatty acyl - Imidazolidinone - N-acyl-amine - Dicarboximide - Imidazolidine - Carbonic acid derivative - Carboxamide group - Secondary carboxylic acid amide - Urea - Organoheterocyclic compound - Alkylthiol - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound Descrição This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond. 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.
Estrutura 3D Alvos associados (humanos) Alvos associados (não humanos) Mecanismos de ação Certificados（CoA,COO,BSE/TSE e Mapa de Análise) Propriedades químicas e físicas Peso molecular 499.700 g/mol XLogP3 2.100 Hydrogen Bond Donor Count 4 Hydrogen Bond Acceptor Count 6 Rotatable Bond Count 11 Exact Mass 499.283 Da Monoisotopic Mass 499.283 Da Topological Polar Surface Area 129.000 Ų Heavy Atom Count 34 Formal Charge 0 Complexity 808.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 3 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
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