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ZK 164015 - ≥99%(HPLC), high purity , CAS No.177583-70-9

COA COA
    Grade & Purity:
  • ≥99%(HPLC)
In stock
Item Number
Z288213
Grouped product items
SKU Size
Availability
 Price Qty
Z288213-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$179.90
Z288213-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$754.90
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Bulk Order  SDS  DATASHEET  Specification Sheet

Potent estrogen receptor antagonist

Basic Description

Synonyms J-011295 | HMS3677K07 | HMS3413K07 | BRD-K05151076-001-01-8 | ZK164015 | ZK-164015 | DTXSID00430964 | Q27163881 | BDBM50474884 | 2-(4-hydroxyphenyl)-3-methyl-1-(10-pentylsulfonyldecyl)indol-5-ol | SCHEMBL7133598 | 2-(4-Hydroxyphenyl)-3-methyl-1-(10-(penty
Specifications & Purity ≥99%(HPLC)
Biochemical and Physiological Mechanisms Potent estrogen receptor silent antagonist. Inhibits 17β-estradiol stimulation of luciferase activity (IC50= 0.025μM); potently inhibits the growth of estrogen-sensitive human MCF-7 breast cancer cellsin vitro(IC50~ 1 nM).
Storage Temp Room temperature
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Organoheterocyclic compounds
Class Indoles and derivatives
Subclass Indoles
Intermediate Tree Nodes Not available
Direct Parent 2-phenylindoles
Alternative Parents Phenylpyrroles  N-alkylindoles  Hydroxyindoles  3-methylindoles  1-hydroxy-2-unsubstituted benzenoids  Benzene and substituted derivatives  Sulfones  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents 2-phenylindole - 2-phenylpyrrole - 3-alkylindole - Hydroxyindole - N-alkylindole - 3-methylindole - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Pyrrole - Sulfone - Sulfonyl - Heteroaromatic compound - Azacycle - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organosulfur compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as 2-phenylindoles. These are indoles substituted at the 2-position with a phenyl group.
External Descriptors Not available

Associated Targets(Human)

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
SMN1 Tchem Survival motor neuron protein (34246 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HPGD Tchem 15-hydroxyprostaglandin dehydrogenase [NAD+] (24926 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MEN1 Tchem Menin/Histone-lysine N-methyltransferase MLL (48157 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Associated Targets(non-human)

Cruzipain (33337 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mapk1 MAP kinase ERK2 (650 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Mapt Microtubule-associated protein tau (6 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
Rorc Nuclear receptor ROR-gamma (89407 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
FTL Ferritin light chain (43324 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
ESR1 Estrogen receptor (4 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID

Mechanisms of Action

Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References

Names and Identifiers

IUPAC Name 2-(4-hydroxyphenyl)-3-methyl-1-(10-pentylsulfonyldecyl)indol-5-ol
INCHI InChI=1S/C30H43NO4S/c1-3-4-12-21-36(34,35)22-13-10-8-6-5-7-9-11-20-31-29-19-18-27(33)23-28(29)24(2)30(31)25-14-16-26(32)17-15-25/h14-19,23,32-33H,3-13,20-22H2,1-2H3
InChIKey LYJSJVYJLZOMCD-UHFFFAOYSA-N
Smiles CCCCCS(=O)(=O)CCCCCCCCCCN1C2=C(C=C(C=C2)O)C(=C1C3=CC=C(C=C3)O)C
Isomeric SMILES CCCCCS(=O)(=O)CCCCCCCCCCN1C2=C(C=C(C=C2)O)C(=C1C3=CC=C(C=C3)O)C
PubChem CID 9806489
Molecular Weight 513.73

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Chemical and Physical Properties

Solubility Solvent:ethanol, Max Conc. mg/mL: 12.84, Max Conc. mM: 25; Solvent:DMSO, Max Conc. mg/mL: 51.37, Max Conc. mM: 100
Molecular Weight 513.700 g/mol
XLogP3 8.000
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 4
Rotatable Bond Count 16
Exact Mass 513.291 Da
Monoisotopic Mass 513.291 Da
Topological Polar Surface Area 87.900 Ų
Heavy Atom Count 36
Formal Charge 0
Complexity 700.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 0
Covalently-Bonded Unit Count 1

Solution Calculators

Reviews

Customer Reviews

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