Eribulin
Also known as eribuline, Eribulina, E-7389 free base
Key facts
What buyers check first
- CAS number
- 253128-41-5
- Formula
- C40H59NO11
- Molar mass
- 729.91 g/mol
- EC number
- 803-583-7
- HS code
- 293299
- Category
- Pharmaceuticals and APIs
What is Eribulin?
Plain description, key identifiers and synonyms
Eribulin is a fully synthetic macrocyclic ketone analogue of marine sponge natural products. Inhibits growth phase of microtubules via tubulin-based antimitotic mechanism, which leads to G2/M cell-cycle block, disruption of mitotic spindles, and, ultimately, apoptotic cell death after prolonged mitotic blockage. It has a role as an antineoplastic agent and a microtubule-destabilising agent. It is a polycyclic ether, a cyclic ketone, a polyether, a primary amino compound, a macrocycle and a cyclic ketal. It is a conjugate base of an eribulin(1+).
Eribulin is a pharmaceutical drug.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- (1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,33R,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-dimethylidene-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.13,32.13,33.16,9.112,16.018,22.029,36.031,35]hentetracontan-24-one
- CAS number
- 253128-41-5 CAS number cross-checked
- EC number
- 803-583-7
- Molecular formula
- C40H59NO11
- UNII
- LR24G6354G
- MDL number
- MFCD23160037
- InChIKey
- UFNVPOGXISZXJD-JBQZKEIOSA-N
- InChI
- InChI=1S/C40H59NO11/c1-19-11-24-5-7-28-20(2)12-26(45-28)9-10-40-17-33-36(51-40)37-38(50-33)39(52-40)35-29(49-37)8-6-25(47-35)13-22(42)14-27-31(16-30(46-24)21(19)3)48-32(34(27)44-4)15-23(43)18-41/h19,23-39,43H,2-3,5-18,41H2,1,4H3/t19-,23+,24+,25-,26+,27+,28+,29+,30-,31+,32-,33-,34-,35+,36+,37+,38-,39+,40+/m1/s1
- Canonical SMILES
- C=C1CC2CCC34CC5OC6C(OC7CCC(CC(=O)CC8C(CC9OC(CCC1O2)CC(C)C9=C)OC(CC(O)CN)C8OC)OC7C6O3)C5O4
- Isomeric SMILES
- C[C@@H]1C[C@@H]2CC[C@H]3C(=C)C[C@@H](O3)CC[C@]45C[C@@H]6[C@H](O4)[C@H]7[C@@H](O6)[C@@H](O5)[C@@H]8[C@@H](O7)CC[C@@H](O8)CC(=O)C[C@H]9[C@H](C[C@H](C1=C)O2)O[C@@H]([C@@H]9OC)C[C@@H](CN)O
Synonyms
- eribuline
- Eribulina
- E-7389 free base
- ER 086526
- eribulinum
- Eribulin free
- 2-[4-[[(2R)-2-Aminobutyl]amino]-2-quinazolinyl]-4-chloro-phenol
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 729.91 g/molcalc.Computed value |
|---|---|
| Exact mass | 729.4088 Dacalc.Computed value |
| LogP (octanol/water) | 3.44calc.Computed value |
| Topological polar surface area | 146.4 Ųcalc.Computed value |
| Hydrogen bond donors | 2calc.Computed value |
| Hydrogen bond acceptors | 12calc.Computed value |
| Rotatable bonds | 4calc.Computed value |
| Heavy atoms | 52calc.Computed value |
| Rings | 10calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.88calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 19calc.Computed value |
| Lipinski rule of five | Fails (2 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
C=C1CC2CCC34CC5OC6C(OC7CCC(CC(=O)CC8CCOC8CC8OC(CCC8=C)CCC1O2)OC7C6O3)C5O4
10 rings, 44 atoms.
8 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H301 + H311 + H331Toxic if swallowed. Toxic in contact with skin. Toxic if inhaled.
- H301Toxic if swallowed.
- H311Toxic in contact with skin.
- H331Toxic if inhaled.
- H341Suspected of causing genetic defects.
- H351Suspected of causing cancer.
- H361Suspected of damaging fertility or the unborn child.
Precautionary statements (18)
- P203Obtain, read and follow all safety instructions before use.
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P262Do not get in eyes, on skin, or on clothing.
- P264Wash skin thoroughly after handling.
- P270Do not eat, drink or smoke when using this product.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P301 + P316If swallowed: Get emergency medical help immediately.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P316Get emergency medical help immediately.
- P318If exposed or concerned, get medical advice.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P330Rinse mouth.
- P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidEribulin suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- China, Shanghai ManufacturerUnclaimed profileEribulinGrade, purity and minimum order on requestPrice on request
- China, Huaian ManufacturerUnclaimed profileEribulinGrade, purity and minimum order on requestPrice on request
- India, Pune ManufacturerUnclaimed profileEribulinGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileEribulinGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profileEribulinGrade, purity and minimum order on requestPrice on request
- Price on request
- United States, Monmouth JunctionUnclaimed profileEribulinGrade, purity and minimum order on requestPrice on request
- Spain, BarcelonaUnclaimed profileEribulinGrade, purity and minimum order on requestPrice on request
- China, ShanghaiUnclaimed profileEribulinGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
41 suppliers in 8 countries
- China15
- United States15
- India4
- United Kingdom2
- Hong Kong2
- Germany1
- and 2 more countries
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Eribulin price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Roles
- antimitotic
- antineoplastic agent
- microtubule-destabilising agent
- pharmaceutical
- tubulin modulator
Pharmacology
Eribulin is a Microtubule Inhibitor. The physiologic effect of eribulin is by means of Microtubule Inhibition.
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- Active ingredient in FDA approved drug labels
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Eribulin is traded under.
Heterocyclic compounds with oxygen hetero-atom(s) only, other
- China28.9%
- Switzerland * partner reported12.7%
- Germany7.8%
- United States49.7%
- China11.9%
- India * partner reported3.3%
* Partner reported figures, a lower bound.
The HS code shown for Eribulin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Eribulin, based on the data on this page
What is Eribulin?
What is the CAS number of Eribulin?
What is the molecular formula and weight of Eribulin?
What is Eribulin used for?
Is Eribulin hazardous?
What is the HS code of Eribulin?
Where can I buy Eribulin?
Where can I buy Eribulin in India?
What is the price of Eribulin?
Guides for buyers
Practical guides that help when you source, ship or handle Eribulin
- Article, QualityPharma grades explained: IP vs BP vs USP vs EPWhat the Indian, British, US and European pharmacopoeias are, how their monographs differ, what multi grade claims mean and why a grade alone does not make a product fit for medicines.Read
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
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