M3002
5-Methylisatin
crystalline
Synonym(s):
5-Methylindole-2,3-dione, NSC 9398
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About This Item
Empirical Formula (Hill Notation):
C9H7NO2
CAS Number:
Molecular Weight:
161.16
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
form
crystalline
color
orange
mp
180 °C (dec.) (lit.)
SMILES string
Cc1ccc2NC(=O)C(=O)c2c1
InChI
1S/C9H7NO2/c1-5-2-3-7-6(4-5)8(11)9(12)10-7/h2-4H,1H3,(H,10,11,12)
InChI key
VAJCSPZKMVQIAP-UHFFFAOYSA-N
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Application
Reactant for preparation of:
- Antimycobacterial agents
- Promoters of central nervous system (CNS) depression in mice
- Inhibitors of TAK1 kinase
- Anti-human immunodeficiency virus (HIV) agent
- Potent herpes simplex virus (HSV) inhibitors
- Antimicrobial agents
- IKKβ inhibitors
- Potential drug to combat human immunodeficiency virus-tuberculosis (HIV-TB) coinfection
- Cyclooxygenase 1/2 (COX-1/2) and 5-lipoxygenase (5-LOX) inhibitors
- Antibacterial and anticancer agents
Storage Class Code
13 - Non Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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Janice L Hyatt et al.
Journal of medicinal chemistry, 50(8), 1876-1885 (2007-03-24)
Carboxylesterases (CE) are ubiquitous enzymes thought to be responsible for the metabolism and detoxification of xenobiotics. Numerous clinically used drugs including Demerol, lidocaine, capecitabine, and CPT-11 are hydrolyzed by these enzymes. Hence, the identification and application of selective CE inhibitors
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