DM4 - ≥98% , CAS No.796073-69-3

CAS: 796073-69-3 Cat. No.: D596359 Fórmula: C₃₈H₅₄ClN₃O₁₀S Peso molecular: 780.37 Número CE: 641-067-1 PubChem CID: 11686439

GRAU & PUREZA ≥98%

Synonyms

DM4 | DM-4 | WOB38VS2NI | Ravtansine | UNII-WOB38VS2NI | DM 4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

DM4 is is an antitubulin agent that inhibit cell division. DM4 can be used in the preparation of antibody agent conjugate.

Especificações

Sinónimos

DM4 | DM-4 | WOB38VS2NI | Ravtansine | UNII-WOB38VS2NI | DM 4

Especificações e pureza

≥98%

Condições de armazenamento de armazenamento

Store at -20°C

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

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528764201

Sorrisos canónicos

CC1C2CC(C(C=CC=C(CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)CC(C4(C1O4)C)OC(=O)C(C)N(C)C(=O)CCC(C)(C)S)C)C)OC)(NC(=O)O2)O

IUPAC Name

[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl] (2S)-2-[methyl-(4-methyl-4-sulfanylpentanoyl)amino]propanoate

InChIKey

JFCFGYGEYRIEBE-YVLHJLIDSA-N

INCHI

1S/C38H54ClN3O10S/c1-21-12-11-13-28(49-10)38(47)20-27(50-35(46)40-38)22(2)33-37(6,52-33)29(51-34(45)23(3)41(7)30(43)14-15-36(4,5)53)19-31(44)42(8)25-17-24(16-21)18-26(48-9)32(25)39/h11-13,17-18,22-23,27-29,33,47,53H,14-16,19-20H2,1-10H3,(H,40,46)/b13-11+,21-12+/t22-,23+,27+,28-,29+,33+,37+,38+/m1/s1

SMILES isoméricas

C[C@@H]1[C@@H]2C[C@]([C@@H](/C=C/C=C(/CC3=CC(=C(C(=C3)OC)Cl)N(C(=O)C[C@@H]([C@]4([C@H]1O4)C)OC(=O)[C@H](C)N(C)C(=O)CCC(C)(C)S)C)\C)OC)(NC(=O)O2)O

PubChem CID

11686439

Peso molecular

780.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Macrolactams

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Macrolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Macrolactams
• Alternative Parents: Alpha amino acid esters Alanine and derivatives Anisoles Alkyl aryl ethers 1,3-oxazinanes N-acyl amines Aryl chlorides Tertiary carboxylic acid amides Carbamate esters Lactams Carboxylic acid esters Epoxides Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Alkylthiols Alkanolamines Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid ester - Macrolactam - Alanine or derivatives - Alpha-amino acid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - 1,3-oxazinane - Aryl chloride - Aryl halide - Benzenoid - N-acyl-amine - Oxazinane - Carbamic acid ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Alkylthiol - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Dialkyl ether - Oxirane - Ether - Monocarboxylic acid or derivatives - Alkanolamine - Carbonyl group - Organonitrogen compound - Organic oxide - Organochloride - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
• 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: 780.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 779.322 Da
• Monoisotopic Mass: 779.322 Da
• Topological Polar Surface Area: 157.000 Ų
• Heavy Atom Count: 53
• Formal Charge: 0
• Complexity: 1430.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 1