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CH5138303

CAT: 0013-GTR19184341-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184341-02Size:5 mg
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Description
CH5138303 is a potent, orally bioavailable small molecule inhibitor of Hsp90, exhibiting a dissociation constant (Kd) of 0.48 nM. It is utilized in cancer research to study oncogenic client protein degradation and has demonstrated antitumor efficacy in both cellular assays and in vivo xenograft models.
CAS Number
959763-06-5
Field of Research
Metabolism Research, Signal Transduction
Smiles
ClC1=C (C2=C3C (=C1) COCC3=CC=C2) C=4N=C (SCCCC (N) =O) N=C (N) N4
Molecular Formula
C19H18ClN5O2S
Molecular Weight
415.9
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-{[4-Amino-6-(5-Chloro-1h,3h-Benzo[de]isochromen-6-Yl)-1,3,5-Triazin-2-Yl]sulfanyl}butanamide
CAS Number959763-06-5
PubChem CID25066238
IUPAC Name4-[[4-amino-6-(7-chloro-3-oxatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaen-8-yl)-1,3,5-triazin-2-yl]sulfanyl]butanamide
Molecular FormulaC19H18ClN5O2S
Molecular Weight415.9
XLogP2.4
Topological Polar Surface Area142
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity558
SMILES
C1C2=C3C(=CC(=C(C3=CC=C2)C4=NC(=NC(=N4)SCCCC(=O)N)N)Cl)CO1
InChI
InChI=1S/C19H18ClN5O2S/c20-13-7-11-9-27-8-10-3-1-4-12(15(10)11)16(13)17-23-18(22)25-19(24-17)28-6-2-5-14(21)26/h1,3-4,7H,2,5-6,8-9H2,(H2,21,26)(H2,22,23,24,25)
InChIKey
VIGHQZSTZWNWFA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-{[4-Amino-6-(5-Chloro-1h,3h-Benzo[de]isochromen-6-Yl)-1,3,5-Triazin-2-Yl]sulfanyl}butanamide
CAS: 959763-06-5
CID: 25066238
Formula: C19H18ClN5O2S
MW: 415.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.9
XLogP32.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass415.0869737
Monoisotopic Mass415.0869737
Topological Polar Surface Area142 Ų
Heavy Atom Count28
Formal Charge0
Complexity558
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

Alternative Products

CatalogName
MBS3840284-01CH5138303
A14282-50CH5138303 50mg
A14282-5CH5138303 5mg
A14282-25CH5138303 25mg
A14282-10CH5138303 10mg
A14282-2CH5138303 2mg
A14282-1CH5138303 1mg
A14282-10mM-DCH5138303 10mM * 1mL in DMSO

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