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Temozolomide acid

CAT: 0804-HY-W018326-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W018326-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Temozolomide acid is a carboxylic acid derivative of Temozolomide with anticancer activity. Temozolomide is a DNA alkylating agent, methylating the guanine and adenine bases of DNA, causing breaks in DNA double strand, cell cycle arrest, and eventually cell death. Temozolomide acid is promising for research of glioblastoma and brain cancer[1].
CAS Number
113942-30-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/temozolomide-acid.html
Purity
99.92
Solubility
DMSO : 50 mg/mL (ultrasonic)
Smiles
CN1N=NC2=C(N=CN2C1=O)C(O)=O
Molecular Formula
C6H5N5O3
Molecular Weight
195.14
Precautions
H302, H315, H319, H335
References & Citations
[1]Helal DO, et al. A natural protein based platform for the delivery of Temozolomide acid to glioma cells. Eur J Pharm Biopharm. 2021 Dec;169:297-308.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Launched

Chemical Information

Temozolomide acid
CAS Number113942-30-6
PubChem CID11830328
IUPAC Name3-methyl-4-oxoimidazo[5,1-d][1,2,3,5]tetrazine-8-carboxylic acid
Molecular FormulaC6H5N5O3
Molecular Weight195.14
XLogP-0.4
Topological Polar Surface Area100
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count14
Formal Charge0
Complexity317
SMILES
CN1C(=O)N2C=NC(=C2N=N1)C(=O)O
InChI
InChI=1S/C6H5N5O3/c1-10-6(14)11-2-7-3(5(12)13)4(11)8-9-10/h2H,1H3,(H,12,13)
InChIKey
VVTMIOYTNALQAW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Temozolomide acid
CAS: 113942-30-6
CID: 11830328
Formula: C6H5N5O3
MW: 195.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight195.14
XLogP3-0.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass195.03923904
Monoisotopic Mass195.03923904
Topological Polar Surface Area100 Ų
Heavy Atom Count14
Formal Charge0
Complexity317
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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