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Crolibulin - 98%, high purity , Tubulin inhibitor, CAS No.1000852-17-4, Tubulin inhibitor

    Grade & Purity:
  • ≥98%
In stock
Item Number
C647301
Grouped product items
SKU Size
Availability
Price Qty
C647301-5mg
5mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$200.90
C647301-10mg
10mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$360.90
C647301-25mg
25mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$750.90
C647301-50mg
50mg
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
$1,300.90

Basic Description

Synonyms (R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile | EPC2407 | EPC-2407 | Q252344 | D09882 | 1000852-17-4 | AT-20GF | JXONINOYTKKXQQ-CQSZACIVSA-N | BG0 | CROLIBULIN [WHO-DD] | UNII-9ENT43KY91 | Q27272449 | CROLIBULIN [INN] | EX-
Specifications & Purity ≥98%
Biochemical and Physiological Mechanisms Crolibulin (EPC2407) is a tubulin polymerization inhibitor, with potent apoptosis induction and cell growth inhibition. Crolibulin has anti-tumor activity. Crolibulin also has cardiovascular toxicity and neurotoxicity.
Storage Temp Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Action Type INHIBITOR
Mechanism of action Tubulin inhibitor
Product Description

Crolibulin (EPC2407) is a tubulin polymerization inhibitor, with potent apoptosis induction and cell growth inhibition. Crolibulin has anti-tumor activity. Crolibulin also has cardiovascular toxicity and neurotoxicity

In Vitro

Crolibulin shows significant cytotoxic activity against HT-29 cells, with an IC 50 of 0.52 μM. Crolibulin is active against various experimental tumors and exhibit potent inhibition of mitosis at the G2/M stage. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:Tubulin polymerization

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
Superclass Phenylpropanoids and polyketides
Class Neoflavonoids
Subclass Not available
Intermediate Tree Nodes Not available
Direct Parent Neoflavonoids
Alternative Parents Dimethoxybenzenes  1-benzopyrans  Phenoxy compounds  Anisoles  Bromobenzenes  Alkyl aryl ethers  Aryl bromides  Ketene acetals  Oxacyclic compounds  Nitriles  Primary amines  Organobromides  Hydrocarbon derivatives  
Molecular Framework Aromatic heteropolycyclic compounds
Substituents Neoflavonoid skeleton - Benzopyran - 1-benzopyran - O-dimethoxybenzene - Dimethoxybenzene - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Ketene acetal or derivatives - Organoheterocyclic compound - Oxacycle - Nitrile - Carbonitrile - Ether - Primary amine - Organic nitrogen compound - Cyanide - Amine - Organic oxygen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description This compound belongs to the class of organic compounds known as neoflavonoids. These are compounds with a structure based on the 4-phenylchromene backbone.
External Descriptors Not available

Product Properties

ALogP 2.6

Associated Targets(Human)

HT-29 (80576 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
MKN-45 (2102 Activities)
Activity Type Relation Activity value Units Action Type Journal PubMed Id doi Assay Aladdin ID
A549 (127892 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

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 (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile
INCHI InChI=1S/C18H17BrN4O3/c1-24-13-6-8(5-11(19)17(13)25-2)14-9-3-4-12(21)15(22)16(9)26-18(23)10(14)7-20/h3-6,14H,21-23H2,1-2H3/t14-/m1/s1
InChIKey JXONINOYTKKXQQ-CQSZACIVSA-N
Smiles COC1=C(C(=CC(=C1)C2C3=C(C(=C(C=C3)N)N)OC(=C2C#N)N)Br)OC
Isomeric SMILES COC1=C(C(=CC(=C1)[C@@H]2C3=C(C(=C(C=C3)N)N)OC(=C2C#N)N)Br)OC
PubChem CID 23649181
Molecular Weight 417.26

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

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

Chemical and Physical Properties

Solubility DMSO : 125 mg/mL (299.57 mM; Need ultrasonic and warming)
Molecular Weight 417.300 g/mol
XLogP3 2.600
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 3
Exact Mass 416.048 Da
Monoisotopic Mass 416.048 Da
Topological Polar Surface Area 130.000 Ų
Heavy Atom Count 26
Formal Charge 0
Complexity 606.000
Isotope Atom Count 0
Defined Atom Stereocenter Count 1
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

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