Apoptolidin - ≥95% , CAS No.194874-06-1

CAS: 194874-06-1 Cat. No.: A329643 Peso molecular: 1129.37 PubChem CID: 11297771

GRADE & PURITY ≥95%

Synonyms

UNII-SAO6WVQ23I | HY-126679 | Apoptolidin | FU-40A | (3~{E},5~{E},7~{E},9~{R},10~{R},11~{E},13~{E},17~{S},18~{S},20~{S})-18-methoxy-20-[(~{R})-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(2~{R})-3-methoxy-2-[(2~{R},4~{S},5~{S},6~{S})-5-[(2~{S},4~{R},5~{R},6~{R})-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Apoptolidin is a selective polyketide, apoptosis inducer produced by|Nocardiopsis|mainly inducing cell death in E1A-transformed cells and inhibiting the enzymatic activity of mitochondrial F|0|F|1|-ATPase. In addition, studies suggest that apoptolidin isomerizes in solution into isoapoptolidin within the time frame of most cell-based assays, however isoapoptolidin's ability to inhibit mitochondrial F|0|F|1|--ATPase is over 10 fold less effective. Furthermore, studies show that apoptolidin induced apoptosis can be inhibited by BCL-2.

Specifications

Sinónimos

UNII-SAO6WVQ23I | HY-126679 | Apoptolidin | FU-40A | (3~{E}, 5~{E}, 7~{E}, 9~{R}, 10~{R}, 11~{E}, 13~{E}, 17~{S}, 18~{S}, 20~{S})-18-methoxy-20-[(~{R})-[(2~{R}, 3~{R}, 4~{S}, 5~{R}, 6~{R})-6-[(2~{R})-3-methoxy-2-[(2~{R}, 4~{S}, 5~{S}, 6~{S})-5-[(2~{S}, 4~{R}, 5~{R}, 6~{R})-

Especificaciones y pureza

≥95%

Fuente

Amycolatopsissp. MST-AS5912

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Sonrisas canónicas: CC1C=C(C=C(C=C(C(=O)OC(CC(C(CCC=C(C=CC1OC2C(C(C(C(O2)C)OC)O)O)C)O)OC)C(C3(C(C(C(C(O3)CC(COC)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)O)OC)(C)O)C)O)C)O)O)C)C)C
• IUPAC Name: (3E,5E,7E,9R,10R,11E,13E,17S,18S,20S)-20-[(R)-[(2R,3R,4S,5R,6R)-2,4-dihydroxy-6-[(2R)-2-[(2R,4S,5S,6S)-4-hydroxy-5-[(2S,4R,5R,6R)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4,6-dimethyloxan-2-yl]oxy-3-methoxypropyl]-3,5-dimethyloxan-2-yl]-hydroxymethyl]-10-[(2R,3S,4S,5R,6S)-3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl]oxy-17-hydroxy-18-methoxy-3,5,7,9,13-pentamethyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
• InChIKey: WILMROCKORZEMQ-AIUMZUNXSA-N
• INCHI: 1S/C58H96O21/c1-29-17-16-18-40(59)43(69-13)25-45(76-55(65)33(5)23-31(3)21-30(2)22-32(4)41(20-19-29)77-56-51(63)50(62)52(71-15)37(9)74-56)53(64)58(67)35(7)48(60)34(6)42(79-58)24-39(28-68-12)75-47-27-57(11,66)54(38(10)73-47)78-46-26-44(70-14)49(61)36(8)72-46/h17,19-23,32,34-54,56,59-64,66-67H,16,18,24-28H2,1-15H3/b20-19+,29-17+,30-22+,31-21+,33-23+/t32-,34+,35-,36-,37+,38+,39-,40+,41-,42-,43+,44-,45+,46+,47+,48+,49-,50+,51+,52+,53-,54+,56+,57+,58-/m1/s1
• Isómeros SMILES: C[C@@H]1/C=C(/C=C(/C=C(/C(=O)O[C@@H](C[C@@H]([C@H](CC/C=C(/C=C/[C@H]1O[C@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C)OC)O)O)\C)O)OC)[C@H]([C@]3([C@@H]([C@H]([C@H]([C@H](O3)C[C@H](COC)O[C@H]4C[C@]([C@H]([C@@H](O4)C)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)OC)(C)O)C)O)C)O)O)\C)\C)\C
• PubChem CID: 11297771
• Peso molecular: 1129.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Macrolides and analogues

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Macrolides and analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Macrolides and analogues
• Alternative Parents: O-glycosyl compounds Disaccharides Oxanes Tertiary alcohols Enoate esters Secondary alcohols Lactones Hemiacetals Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Macrolide - Disaccharide - Glycosyl compound - O-glycosyl compound - Oxane - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tertiary alcohol - Carboxylic acid ester - Hemiacetal - Lactone - Secondary alcohol - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxide - Carbonyl group - Hydrocarbon derivative - Alcohol - Organic oxygen compound - Organooxygen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol, methanol, DMF, and DMSO.
• Índice de refracción: n20D1.56 (Predicted)
• Punto de ebullición (°C): 1108.92° C at 760 mmHg (Predicted)
• Peso molecular: 1129.400 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 15
• Exact Mass: 1128.64 Da
• Monoisotopic Mass: 1128.64 Da
• Topological Polar Surface Area: 290.000 Ų
• Heavy Atom Count: 79
• Formal Charge: 0
• Complexity: 2080.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 25
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 5
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 5
• Covalently-Bonded Unit Count: 1