Obatoclax Mesylate

Basic Information

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CAS Number

803712-79-0

Molecular Formula

C21H23N3O4S

Molecular Weight

413.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC1=CC(=C(N1)C=C2C(=CC(=C3C=C4C=CC=CC4=N3)N2)OC)C.CS(=O)(=O)O

InChI

InChI=1S/C20H19N3O.CH4O3S/c1-12-8-13(2)21-16(12)10-19-20(24-3)11-18(23-19)17-9-14-6-4-5-7-15(14)22-17;1-5(2,3)4/h4-11,21-22H,1-3H3;1H3,(H,2,3,4)/b19-10-;

InChIKey

ZFKXDVMHNXPEIY-PEZBNFGJSA-N

LogP

3.990940000000003

Topological Polar Surface Area

107.53999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

869

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

GX15-070MS
1H-INDOLE, 2-(2-((3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLENE)-3-METHOXY-2H-PYRROL-5-YL), MONOMETHANESULPHONATE
GX-15-070MS
CHEMBL2107358
NSC729280
OBATOCLAX MESILATE [WHO-DD]
PD087642
MFCD18074508
2-(2-((3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLIDENE)-3-METHOXY-2H-PYRROL-5-YL)-1H-INDOLE MONOMETHANESULPHONATE
J-505411
NSC-729280
2-(2-((3,5-Dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole methanesulfonate
1H-INDOLE, 2-(2-((3,5-DIMETHYL-1H-PYRROL-2-YL)METHYLENE)-3-METHOXY-2H-PYRROL-5-YL), MONOMETHANESULFONATE
(2Z)-2-[(5Z)-5-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-4-methoxypyrrol-2-ylidene]indole;methanesulfonic acid
Obatoclax mesylate
803712-79-0
Obatoclax (Mesylate)
GX15-070
CS-0133
BDBM50547622
2-[2-[(3,5-Dimethyl-1H-pyrrol-2-yl)methylidene]-3-methoxy-2H-pyrrol-5-yl]-1H-indole monomethanesulfonate
CHEMBL4777255
CCG-264798
Obatoclax mesylate [USAN]
EX-A333
AC-32080
HY-10969
3-Carboxy-2,5-dimethyl-1H-pyrrol-2-ylmethylene)-5-(1H-indol-2-yl)-3-methoxy-2H-pyrrolium, mesylate salt
(Z)-2-(2-((3,5-dimethyl-1H-pyrrol-2-yl)methylene)-3-methoxy-2H-pyrrol-5-yl)-1H-indole methanesulfonate
Obatoclax mesilate
Obatoclax mesylate (GX15-070)

MDL Number

MFCD18074508

Customs Code

2933990090

FAQ

What are the physical and chemical properties of Obatoclax Mesylate (CAS: 803712-79-0)?

Obatoclax mesylate is a crystalline compound with a molecular weight of approximately 540.71 g/mol. It has low water solubility and is slightly soluble in organic solvents like DMSO. It is chemically reactive under certain conditions, particularly with bases and oxidizing agents. It is stable under normal storage conditions but requires protection from light.

How is Obatoclax Mesylate (CAS: 803712-79-0) typically synthesized?

Obatoclax mesylate is typically synthesized through a multi-step process involving the installation of a mesylate group onto a specific amine. The synthesis involves the use of reagents like mesyl chloride and requires careful control of pH and temperature. The overall yield is moderate, and the reaction is selective under the given conditions.

What industries use Obatoclax Mesylate (CAS: 803712-79-0)?

Obatoclax mesylate is primarily used in the pharmaceutical industry for its potential as an anticancer agent. It is also of interest in research for its ability to induce apoptosis in cancer cells. Due to its potential applications, it is relevant in industries focused on oncology and drug discovery.

What precautions should be taken when handling Obatoclax Mesylate (CAS: 803712-79-0)?

When handling obatoclax mesylate, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Storage should be in a cool, dry place away from direct sunlight. Use a fume hood during handling to avoid exposure. In case of a spill, use appropriate spill cleanup kits and refer to the Safety Data Sheet (SDS) for detailed instructions.