Ganetespib | CAS No. 888216-25-9

Ganetespib

Basic Information

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CAS Number

888216-25-9

Molecular Formula

C20H20N4O3

Molecular Weight

364.41 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Basic Physical Properties

Density

1.39

SMILES

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CC(C)C1=C(C=C(C(=C1)C2=NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)O)O

InChI

InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)

InChIKey

RVAQIUULWULRNW-UHFFFAOYSA-N

LogP

3.666200000000004

Topological Polar Surface Area

96.33000000000003 Å²

Hydrogen Bond Donor/Acceptor

3 / 7

Complexity

610

Safety Information

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Hazard Statement

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

3-(2,4-Dihydroxy-5-isopropylphenyl)-4-(1-methylindol-5-yl)-5-hydroxy-4H-1,2,4-triazole
Ganetespib
5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-2,4-dihydro-4-(1-methyl-1H-indol-5-yl)-3H-1,2,4-triazol-3-one
Ganetespib (STA-9090)
(5Z)-5-(4-hydroxy-6-oxo-3-propan-2-ylcyclohexa-2,4-dien-1-ylidene)-4-(1-methylindol-5-yl)-1,2,4-triazolidin-3-one
3H-1,2,4-Triazol-3-one, 5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-2,4-dihydro-4-(1-methyl-1H-i...
3H-1,2,4-Triazol-3-one, 5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-2,4-dihydro-4-(1-methyl-1H-indol-5-yl)-
STA 9090
STA-9090
STA9090
AK173506
2E8412Y946
3-(2,4-dihydroxy-5-isopropyl-phenyl)-4-(1-methyl-indol-5-yl)-5-hydroxy-[1,2,4]triazole
5
5-[2,4-Dihydroxy-5-(1-methylethyl)phenyl]-2,4-dihydro-4-(1-methyl-1H-indol-5-yl)-3H-1,2,4-triazol-3-one (ACI)
3-(2,4-Dihydroxy-5-isopropylphenyl)-4-(1-methylindol-5-yl)-5-hydroxy[1,2,4]triazole
ADX 1612
NCGC00346678-04
HY-15205
NSC-777169
4-(5-hydroxy-4-(1-methyl-1H-indol-5-yl)-4H-1,2,4-triazol-3-yl)-6-isopropylbenzene-1,3-diol
5-(2,4-dihydroxy-5-(1-methylethyl)phenyl)-2,4-dihydro-4-(1-methyl-1h-indol-5-yl)-
HMS3654K12
CHEBI:177770
UNII-2E8412Y946
5-[2,4-Dihydroxy-5-(Propan-2-Yl)phenyl]-4-(1-Methyl-1h-Indol-5-Yl)-2,4-Dihydro-3h-1,2,4-Triazol-3-One
BCP0726000115
DTXSID401025663
NS00072503
Ganetespib [USAN:INN]
5-[2,4-dihydroxy-5-(1-methylethyl)phenyl]-4-(1-methyl-1H-indol-5-yl)-2,4-dihydro-3H- 1,2,4-triazol-3-one

MDL Number

MFCD22420818

FAQ

What regulatory guidelines apply to Ganetespib (CAS: 888216-25-9)?

Ganetespib (CAS: 888216-25-9) is regulated by various guidelines including GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a Category 3B respiratory sensitizer under GHS, and is subject to registration under REACH. FDA and EPA have specific guidelines concerning its handling, storage, and environmental impact. Compliance with these guidelines ensures safe and lawful use of the compound in the United States and the European Union.

Are there alternatives to Ganetespib (CAS: 888216-25-9) in synthesis?

Several alternatives to Ganetespib (CAS: 888216-25-9) exist for synthesis, including analogs such as NVP-BEP800 and PF-04217903. Isomers like (+)-Ganelipid and (-)-Ganelipid can also be used. Common alternative reagents like 1,2-dipalmitoyl-sn-glycero-3-phosphocholine can serve as substitutes. These alternatives offer similar functionalities but may have different properties and reactivity profiles.

What is the market or research trend for Ganetespib (CAS: 888216-25-9)?

Research on Ganetespib (CAS: 888216-25-9) is focused on its potential as an antifibrotic and anticancer agent. Recent trends show a growing interest in its use for treating idiopathic pulmonary fibrosis and solid tumors. Market demand is increasing due to its promising clinical outcomes and ongoing clinical trials. However, cost and regulatory hurdles remain significant challenges to widespread adoption.

How should waste containing Ganetespib (CAS: 888216-25-9) be handled?

Waste containing Ganetespib (CAS: 888216-25-9) should be handled with caution. Collect waste liquids in appropriate containers and ensure proper labeling. Incineration or professional waste disposal services are recommended to comply with environmental regulations. Implement strict safety precautions, such as wearing protective clothing and using respiratory protection, during the handling and disposal process to prevent exposure. Compliance with local and international environmental regulations is essential to ensure safe disposal and minimize environmental impact.