DM3 - ≥95% , CAS No.796073-54-6

CAS: 796073-54-6 Cat. No.: D647541 Summenformel: C₃₇H₅₂ClN₃O₁₀S Molekulargewicht: 766.34

GRADE & PURITY ≥95%

Synonyms

HY-130080 | XNG6QZ89ZB | N(2')-Deacetyl-N2-(4-mercapto-4-methyl-1-oxopentyl)-maytansine | SCHEMBL18757725 | Maytansinoid DM3 | DM3 | Maytansine, N2'-deacetyl-N2'-(4-mercapto-1-oxopentyl)- | Maytansinoid DM 3 | UNII-XNG6QZ89ZB

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

DM3 (Maytansinoid DM3) is a maytansine analog bearing disulfide or thiol groups and a tubulin inhibitor, and is a cytotoxic moiety of antibody-drug conjugates (ADCs)

Form:Solid

IC50& Target:Maytansinoids

Specifications

Synonyme

HY-130080 | XNG6QZ89ZB | N(2')-Deacetyl-N2-(4-mercapto-4-methyl-1-oxopentyl)-maytansine | SCHEMBL18757725 | Maytansinoid DM3 | DM3 | Maytansine, N2'-deacetyl-N2'-(4-mercapto-1-oxopentyl)- | Maytansinoid DM 3 | UNII-XNG6QZ89ZB

Spezifikationen & Reinheit

≥95%

Biochemische und physiologische Mechanismen

DM3 (Maytansinoid DM3) is a maytansine analog bearing disulfide or thiol groups and a tubulin inhibitor, and is a cytotoxic moiety of antibody-drug conjugates (ADCs).

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

INHIBITOR

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: 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)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-sulfanylpentanoyl)amino]propanoate
• InChIKey: LJFFDOBFKICLHN-IXWHRVGISA-N
• INCHI: 1S/C37H52ClN3O10S/c1-20-11-10-12-28(48-9)37(46)19-27(49-35(45)39-37)22(3)33-36(5,51-33)29(50-34(44)23(4)40(6)30(42)14-13-21(2)52)18-31(43)41(7)25-16-24(15-20)17-26(47-8)32(25)38/h10-12,16-17,21-23,27-29,33,46,52H,13-15,18-19H2,1-9H3,(H,39,45)/b12-10+,20-11+/t21?,22-,23+,27+,28-,29+,33+,36+,37+/m1/s1
• Isomere SMILES: 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)S)C)\C)OC)(NC(=O)O2)O
• Alternative CAS-Nummer: 796073-54-6
• Molekulargewicht: 766.34
• Reaxy-Rn: 31164895
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31164895&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 100 mg/mL (130.49 mM; ultrasonic and warming and heat to 60°C)