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Ombrabulin hydrochloride - 98% (HPLC), high purity , CAS No.253426-24-3

COA COA
    Grade & Purity:
  • ≥98%(HPLC)
In stock
Item Number
O169056
Grouped product items
SKU Size
Availability
 Price Qty
O169056-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$98.90
O169056-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$345.90
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Basic Description

Synonyms Ombrabulin hydrochloride (JAN) | SCHEMBL1419930 | CPMO | AC7700 (hydrochloride) | AVE8062 (hydrochloride) | (z)-N-[2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)vinyl] phenyl]-l-serinamide hydrochloride | PB42394 | OMBRABULIN HYDROCHLORIDE [JAN] | PROPANAMIDE, 2
Specifications & Purity ≥98%(HPLC)
Shipped In Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Stilbenes
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Stilbenes
Alternative Parents Alpha amino acid amides  Serine and derivatives  Anilides  Methoxyanilines  Styrenes  Anisoles  Methoxybenzenes  N-arylamides  Phenoxy compounds  Alkyl aryl ethers  Secondary carboxylic acid amides  Primary alcohols  Hydrochlorides  Hydrocarbon derivatives  Monoalkylamines  Organic oxides  Carbonyl compounds  
Molecular Framework Aromatic homomonocyclic compounds
Substituents Stilbene - Alpha-amino acid amide - Serine or derivatives - Alpha-amino acid or derivatives - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - N-arylamide - Styrene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid derivative - Ether - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Hydrochloride - Carbonyl group - Alcohol - Hydrocarbon derivative - Primary alcohol - Amine - Organic oxide - Organic oxygen compound - Primary amine - Aromatic homomonocyclic compound
Description This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
External Descriptors Not available

Associated Targets(Human)

LAP3 Tchem Leucine aminopeptidase (179 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MCF7 (126967 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
NCI-H460 (60772 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
HeLa (62764 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 (2S)-2-amino-3-hydroxy-N-[2-methoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]propanamide;hydrochloride
INCHI InChI=1S/C21H26N2O6.ClH/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3;/h5-11,15,24H,12,22H2,1-4H3,(H,23,25);1H/b6-5-;/t15-;/m0./s1
InChIKey UQNRTPFLTRZEIM-MRWUDIQNSA-N
Smiles COC1=C(C=C(C=C1)C=CC2=CC(=C(C(=C2)OC)OC)OC)NC(=O)C(CO)N.Cl
Isomeric SMILES COC1=C(C=C(C=C1)/C=C\C2=CC(=C(C(=C2)OC)OC)OC)NC(=O)[C@H](CO)N.Cl
RTECS TX1404540
PubChem CID 6918404
Molecular Weight 438.9

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

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

Chemical and Physical Properties

Molecular Weight 438.900 g/mol
XLogP3
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 9
Exact Mass 438.156 Da
Monoisotopic Mass 438.156 Da
Topological Polar Surface Area 112.000 Ų
Heavy Atom Count 30
Formal Charge 0
Complexity 517.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
The total count of all stereochemical bonds 1
Covalently-Bonded Unit Count 2

Solution Calculators

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