Catalog No.:AA00C4DN

301845-97-6 | simocyclinone D8

Name: Name:simocyclinone D8
Brand: AABLOCKS
SKU: AA00C4DN
Availability: InStock
Rating: 90 (10 reviews)

Pack Size

Purity

Availability

Price(USD)

Quantity

1mg

≥97%

in stock

$304.00 $213.00

- +

Technical Information
Properties
Literature
Request for Quotation
Download SDS

Technical Information
Properties
Literature

Technical Information

Catalog Number:

AA00C4DN

Chemical Name:

simocyclinone D8

CAS Number:

301845-97-6

Molecular Formula:

C46H42ClNO18

Molecular Weight:

932.2746

MDL Number:

MFCD28899076

SMILES:

CC(=O)O[C@@H]1[C@@H](C)O[C@H](C[C@H]1OC(=O)/C=C/C=C/C=C/C=C/C(=O)Nc1c(=O)oc2c(c1O)ccc(c2Cl)O)c1ccc2c(c1O)[C@@H](O)[C@@]13[C@@](C2=O)(O1)[C@@]1(O)C(=O)C=C(C[C@]1(C[C@@H]3O)O)C

Properties

Computed Properties

Complexity:

2250

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

XLogP3:

0.9

Literature

Title: Structures of the TetR-like simocyclinone efflux pump repressor, SimR, and the mechanism of ligand-mediated derepression.

Journal: Journal of molecular biology 20110422

Title: Anti-proliferative effects of simocyclinone D8 (SD8), a novel catalytic inhibitor of topoisomerase II.

Journal: Investigational new drugs 20100201

Title: Overexpression, purification and characterization of SimL, an amide synthetase involved in simocyclinone biosynthesis.

Journal: Archives of microbiology 20050501

Title: Characterization of the aminocoumarin ligase SimL from the simocyclinone pathway and tandem incubation with NovM,P,N from the novobiocin pathway.

Journal: Biochemistry 20050329

Title: Cloning and analysis of the simocyclinone biosynthetic gene cluster of Streptomyces antibioticus Tü 6040.

Journal: Archives of microbiology 20020801

Title: Simocyclinones, novel cytostatic angucyclinone antibiotics produced by Streptomyces antibioticus Tü 6040 II. Structure elucidation and biosynthesis.

Journal: The Journal of antibiotics 20020301

Quotation Request

Company Name:

Contact Person:

Email:

Quantity Required:

Country:

Additional Info:

SDS