McMMAF - ≥98% , CAS No.863971-19-1

CAS: 863971-19-1 Cat. No.: M596644 Fórmula: C₄₉H₇₆N₆O₁₁ Peso molecular: 925.2 Número CE: 809-632-9 PubChem CID: 56949327

GRADE & PURITY ≥98%

Synonyms

FT-0615072 | Q27285195 | SCHEMBL10220875 | AC-32507 | McMMAF | MC-MMAF | MCMMA-F | N-((2R,3R)-3-((2S)-1-((3R,4S,5S)-4-((N-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1- yl)hexanoyl)-N-methyl-L-valyl-L-valyl)methylamino)-3-methoxy-5- methylheptanoyl)pyrrolidin-2-y

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

MC-MMAF is a precursor of antibody drug conjugate. This compound uses a maleimidocaproyl (MC) spacer and uses MMAF which is a synthetic antineoplastic agent.

Specifications

Sinónimos

FT-0615072 | Q27285195 | SCHEMBL10220875 | AC-32507 | McMMAF | MC-MMAF | MCMMA-F | N-((2R,3R)-3-((2S)-1-((3R,4S,5S)-4-((N-(6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1- yl)hexanoyl)-N-methyl-L-valyl-L-valyl)methylamino)-3-methoxy-5- methylheptanoyl)pyrrolidin-2-y

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

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

Tipo de ação

ACTIVATOR

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)CCCCCN3C(=O)C=CC3=O
• IUPAC Name: (2S)-2-[[(2R,3R)-3-[(2S)-1-[(3R,4S,5S)-4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoyl-methylamino]-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl]-3-methoxy-2-methylpropanoyl]amino]-3-phenylpropanoic acid
• InChIKey: ORFNVPGICPYLJV-YTVPMEHESA-N
• INCHI: 1S/C49H76N6O11/c1-12-32(6)44(37(65-10)29-41(59)54-27-19-22-36(54)45(66-11)33(7)46(60)50-35(49(63)64)28-34-20-15-13-16-21-34)53(9)48(62)42(30(2)3)51-47(61)43(31(4)5)52(8)38(56)23-17-14-18-26-55-39(57)24-25-40(55)58/h13,15-16,20-21,24-25,30-33,35-37,42-45H,12,14,17-19,22-23,26-29H2,1-11H3,(H,50,60)(H,51,61)(H,63,64)/t32-,33+,35-,36-,37+,42-,43-,44-,45+/m0/s1
• SMILES isoméricas: CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)OC)OC)N(C)C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN3C(=O)C=CC3=O
• PubChem CID: 56949327
• Peso molecular: 925.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Peptidomimetics
      • Subclass Hybrid peptides

• 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 Phenylalanine and derivatives Valine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Phenylpropanoic acids Amphetamines and derivatives N-acylpyrrolidines Maleimides N-substituted carboxylic acid imides N-acyl amines Tertiary carboxylic acid amides Pyrrolines Dicarboximides Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Dialkyl ethers Monocarboxylic acids and derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hybrid peptide - Alpha-dipeptide - Phenylalanine or derivatives - N-acyl-alpha-amino acid - Valine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-l-alpha-amino acid - Alpha-amino acid amide - 3-phenylpropanoic-acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - N-acylpyrrolidine - Maleimide - N-acyl-amine - Monocyclic benzene moiety - Carboxylic acid imide, n-substituted - Fatty acyl - Fatty amide - Benzenoid - Dicarboximide - Pyrrolidine - Pyrroline - Tertiary carboxylic acid amide - Carboxylic acid imide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Carboxylic acid - Dialkyl ether - Organoheterocyclic compound - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Carbonyl group - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic 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.

DOI: 10.1186/s13321-016-0174-y

Propriedades químicas e físicas

• Peso molecular: 925.200 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 27
• Exact Mass: 924.557 Da
• Monoisotopic Mass: 924.557 Da
• Topological Polar Surface Area: 212.000 Ų
• Heavy Atom Count: 66
• Formal Charge: 0
• Complexity: 1680.000
• 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: 1