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About This Item
Empirical Formula (Hill Notation):
C8H8N2
CAS Number:
Molecular Weight:
132.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
225-977-2
Beilstein/REAXYS Number:
112348
MDL number:
Assay:
97%
Form:
crystals
Quality Segment
assay
97%
form
crystals
mp
131-133 °C (dec.) (lit.)
SMILES string
Nc1ccc2[nH]ccc2c1
InChI
1S/C8H8N2/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H,9H2
InChI key
ZCBIFHNDZBSCEP-UHFFFAOYSA-N
Application
Reactant for preparation of:
- Smac mimetics that bind to the BIR2 domain of the anti-apoptotic protein XIAP
- Cytotoxic and antimitotic agents
- Insulin-like growth factor 1 receptor inhibitors
- Antitumoral agents
- Factor Xa inhibitor
- Potential antivascular agents
- Gli1-mediated transcription in the Hedgehog pathway
- Inhibitors of receptor tyrosine kinase with antiangiogenic effects
- PKCθ inhibitors
- HIV protease inhibitors
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Acute 1 - Eye Irrit. 2
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
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