Maytansinoid - Moligand™,≥98% , CAS No.57103-68-1

CAS: 57103-68-1 Cat. No.: M596354 Fórmula: C₂₈H₃₇ClN₂O₈ Peso molecular: 565.05 Número CE: 680-675-1 PubChem CID: 9915934

GRAU & PUREZA Moligand™, ≥98%

Synonyms

3-o-De(2-(acetylmethylamino)-1-oxopropyl)maytansine | MFCD28144515 | Ansamitocin P-0Ansamitocin P-0 | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacos

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Maytansinol (Ansamitocin P-0) inhibits microtubule assembly and causes microtubule disassembly in vitro.

Especificações

Sinónimos

3-o-De(2-(acetylmethylamino)-1-oxopropyl)maytansine | MFCD28144515 | Ansamitocin P-0Ansamitocin P-0 | (1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-Chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacos

Especificações e pureza

Moligand™,≥98%

Condições de armazenamento de armazenamento

Protected from light,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.

Grau

Moligand™

Tipo de ação

INHIBITOR

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

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

IUPAC Name

(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-6,21-dihydroxy-12,20-dimethoxy-2,5,9,16-tetramethyl-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaene-8,23-dione

InChIKey

QWPXBEHQFHACTK-RZKXNLMUSA-N

INCHI

1S/C28H37ClN2O8/c1-15-8-7-9-22(37-6)28(35)14-20(38-26(34)30-28)16(2)25-27(3,39-25)21(32)13-23(33)31(4)18-11-17(10-15)12-19(36-5)24(18)29/h7-9,11-12,16,20-22,25,32,35H,10,13-14H2,1-6H3,(H,30,34)/b9-7+,15-8+/t16-,20+,21+,22-,25+,27+,28+/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)O)C)\C)OC)(NC(=O)O2)O

PubChem CID

9915934

Peso molecular

565.05

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: Anisoles Alkyl aryl ethers 1,3-oxazinanes Aryl chlorides Tertiary carboxylic acid amides Carbamate esters Secondary alcohols Lactams Oxacyclic compounds Alkanolamines Azacyclic compounds Epoxides Dialkyl ethers Organochlorides Organic oxides Carbonyl compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Macrolactam - Anisole - Phenol ether - Alkyl aryl ether - 1,3-oxazinane - Aryl halide - Benzenoid - Oxazinane - Aryl chloride - Carbamic acid ester - Tertiary carboxylic acid amide - Lactam - Carboxamide group - Secondary alcohol - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Oxacycle - Alkanolamine - Ether - Oxirane - Dialkyl ether - Organic nitrogen compound - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alcohol - 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

• Ponto de fusão (°C): >153ºC (dec.)
• Peso molecular: 565.100 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 564.224 Da
• Monoisotopic Mass: 564.224 Da
• Topological Polar Surface Area: 130.000 Ų
• Heavy Atom Count: 39
• Formal Charge: 0
• Complexity: 993.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 7
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C, protected from light. The material is light-sensitive — keep it in its original opaque or amber container.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 57103-68-1, the molecular formula is C28H37ClN2O8, and the molecular weight is 565.05 g/mol. InChIKey QWPXBEHQFHACTK-RZKXNLMUSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.