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Hsp90-IN-37

CAT: 0804-HY-W107935-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-W107935-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Hsp90-IN-37 (Z-2) is a heat shock protein 90 (Hsp90) inhibitor that inhibits Hsp90 enzymatic activity by 69%. Hsp90-IN-37 has antitumor activity[1].
CAS Number
1383133-23-0
UNSPSC
12352005
Hazard Statement
H315, H317, H319, H335
Target
HSP
Related Pathways
Cell Cycle/DNA Damage; Metabolic Enzyme/Protease
Field of Research
Cancer
Purity
97.0
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C(N1C(N)=NC2=CC=CC=C12)OC(C)(C)C
Molecular Formula
C12H15N3O2
Molecular Weight
233.27
Precautions
H315, H317, H319, H335
References & Citations
[1]Abbasi M, et al. Identification of New Hsp90 Inhibitors: Structure Based Virtual Screening, Molecular Dynamic Simulation, Synthesis and Biological Evaluation. Anticancer Agents Med Chem. 2021;21 (18) :2583-2591.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tert-butyl 2-amino-1H-benzo[D]imidazole-1-carboxylate
CAS Number1383133-23-0
PubChem CID74788384
IUPAC Nametert-butyl 2-aminobenzimidazole-1-carboxylate
Molecular FormulaC12H15N3O2
Molecular Weight233.27
XLogP2.8
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count17
Formal Charge0
Complexity301
SMILES
CC(C)(C)OC(=O)N1C2=CC=CC=C2N=C1N
InChI
InChI=1S/C12H15N3O2/c1-12(2,3)17-11(16)15-9-7-5-4-6-8(9)14-10(15)13/h4-7H,1-3H3,(H2,13,14)
InChIKey
XLOVZUNVXPPLKH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tert-butyl 2-amino-1H-benzo[D]imidazole-1-carboxylate
CAS: 1383133-23-0
CID: 74788384
Formula: C12H15N3O2
MW: 233.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.27
XLogP32.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass233.116426730
Monoisotopic Mass233.116426730
Topological Polar Surface Area70.1 Ų
Heavy Atom Count17
Formal Charge0
Complexity301
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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