Eribulin | CAS No. 253128-41-5

Eribulin

Basic Information

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CAS Number

253128-41-5

Molecular Formula

C40H59NO11

Molecular Weight

729.91 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Surfactants Anionic Surfactants

Polymers and Plastics Thermoplastics Polyolefins

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1CC2CCC3C(=C)CC(O3)CCC45CC6C(O4)C7C(O6)C(O5)C8C(O7)CCC(O8)CC(=O)CC9C(CC(C1=C)O2)OC(C9OC)CC(CN)O

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

InChIKey

UFNVPOGXISZXJD-JBQZKEIOSA-N

LogP

3.4380000000000046

Topological Polar Surface Area

146.39000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 12

Complexity

1380

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Eribulin
CTK4G8340
AC1ODXE9
Methyl(1S,3S,4R)NBOC3amino4hydroxycyclopentanecarboxylate
AG-F-07482
(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-bis(methylene)-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
(1S,3S,4R)-3-tert-butoxycarbonylamino-4-hydroxycyclopentanecarboxylic acid methyl ester
Cyclopentanecarboxylicacid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-, methyl ester,(1S,3S,4R)-
I14-62458
B1939
Cyclopentanecarboxylicacid,3-[[(1,1-dimethylethoxy)carbonyl]amino]-4-hydroxy-,methy
E7389
ER-086526
ER 086526
Q408717
Eribulina
CHEMBL1683590
ERIBULIN [MART.]
e7389-lf
2-[4-[[(2R)-2-Aminobutyl]amino]-2-quinazolinyl]-4-chloro-phenol
CHEBI:63587
253128-41-5
B 1939
DA-52974
(1S,3S,6S,9S,12S,14R,16R,18S,20R,21R,22S,26R,29S,31R,32S,35R,36S)-20-[(2S)-3-amino-2-hydroxypropyl]-21-methoxy-14-methyl-8,15-bis(methylene)-2,19,30,34,37,39,40,41-octaoxanonacyclo[24.9.2.1(3,32).1(3,33).1(6,9).1(12,16).0(18,22).0(29,36).0(31,35)]hentetracontan-24-one
(2R,3R,3aS,7R,8aS,9S,10aR,11S,12R,13aR,13bS,15S,18S,21S,24S,26R,28R,29aS)-2-[(2S)-3-Amino-2-hydroxypropyl]hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)-11,15:18,21:24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo[3,2-i]furo[2',3':5,6]pyrano[4,3-b][1,4]dioxacyclopentacosin-5(4H)-one
GLXC-10730
(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
UNII-LR24G6354G
2-(3-Amino-2-hydroxypropyl)hexacosahydro-3-methoxy-26-methyl-20,27-bis(methylene)11,15-18,21-24,28-triepoxy-7,9-ethano-12,15-methano-9H,15H-furo(3,2-i)furo(2',3'-5,6)pyrano(4,3-b)(1,4)dioxacyclopentacosin-5-(4H)-one
DTXCID701436148

MDL Number

MFCD23160037

FAQ

What is Eribulin (CAS: 253128-41-5)?

Eribulin is a marine-derived antitumor agent, used in the treatment of metastatic breast cancer and peripheral nerve sheath tumors. It is a synthetic analogue of dolastatin 10, with a chemical structure that includes a 12-membered macrolide ring and a thiazole moiety.

What are the main uses of Eribulin (CAS: 253128-41-5)?

Eribulin is primarily used in the treatment of metastatic breast cancer and peripheral nerve sheath tumors. It is also under investigation for other types of cancers and has potential applications in combination therapy.

Is Eribulin (CAS: 253128-41-5) safe?

Eribulin is generally considered safe when used according to the approved dosing guidelines. However, it may cause side effects such as peripheral neuropathy, neutropenia, and fatigue. Patients should be monitored closely and take necessary precautions to manage these risks.

How should Eribulin (CAS: 253128-41-5) be stored?

Eribulin should be stored at 2°C to 8°C (36°F to 46°F) in its frozen state. It should be kept away from heat, moisture, and direct light. The drug should be stored in the original container to maintain its stability and efficacy.