Crolibulin (EPC2407) - Moligand™,≥98% , Tubulin inhibitor, CAS No.1000852-17-4, Tubulin inhibitor

CAS: 1000852-17-4 Cat. No.: C647301 Formula: C₁₈H₁₇BrN₄O₃ Molecular Weight: 417.26 PubChem CID: 23649181

GRADE & PURITY Moligand™, ≥98%

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-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

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

Specifications

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

Moligand™,≥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

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Tubulin inhibitor

Purity

≥98%

Product Properties

• ALogP: 2.6

Names and Identifiers

• Canonical Smiles: COC1=C(C(=CC(=C1)C2C3=C(C(=C(C=C3)N)N)OC(=C2C#N)N)Br)OC
• IUPAC Name: (4R)-2,7,8-triamino-4-(3-bromo-4,5-dimethoxyphenyl)-4H-chromene-3-carbonitrile
• InChIKey: JXONINOYTKKXQQ-CQSZACIVSA-N
• 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
• 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

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Class Neoflavonoids

• 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

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

Associated Targets(Human)

HT-29 (80576 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MKN-45 (2102 Activities)

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A549 (127892 Activities)

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NCI-H460 (60772 Activities)

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Mechanisms of Action

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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1000852-17-4, the molecular formula is C18H17BrN4O3, and the molecular weight is 417.26 g/mol. InChIKey JXONINOYTKKXQQ-CQSZACIVSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.